 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104164/Gau-19811.inp" -scrdir="/scratch/9104164/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19813.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer05_LCPBE_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer05_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) 
 Polar=ROA Guess=Read CPHF=RdFreq IOp(1/33=1,3/107=0300000000,3/108=030
 0000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1)
 ----------------------------------------------------------------------
 1/33=1,38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H(Iso=2)              0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 RdStrC is calling ZToCFu for IStruc=1 NZ=    17.
 PrtBox:  NBox=     1 Levels=  1 BoxLen=    8.00 SMaxX=        7.32
          Shift=            3.443005            3.554229            3.523719
 Box      1 Number                   0 centers from      1 to     17:
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           2           1           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   2.0141018   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           2           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.8574380   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9863730           3.8158056           3.6615706
 Leave Link  202 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jan 27 11:50:10 2022, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:50:10 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:50:11 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer05_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:50:11 2022, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.071720640534    
 DIIS: error= 6.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.071720640534     IErMin= 1 ErrMin= 6.30D-03
 ErrMax= 6.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.89D-03 BMatP= 5.89D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.507 Goal=   None    Shift=    0.000
 GapD=    0.507 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.25D-02 MaxDP=1.91D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.13D-02    CP:  1.20D+00
 E= -197.078257912265     Delta-E=       -0.006537271731 Rises=F Damp=F
 DIIS: error= 1.42D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.078257912265     IErMin= 2 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-04 BMatP= 5.89D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com: -0.241D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.238D-01 0.102D+01
 Gap=     0.437 Goal=   None    Shift=    0.000
 RMSDP=1.73D-03 MaxDP=2.36D-01 DE=-6.54D-03 OVMax= 4.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.28D-04    CP:  1.23D+00  1.12D+00
 E= -197.078455696366     Delta-E=       -0.000197784101 Rises=F Damp=F
 DIIS: error= 8.36D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.078455696366     IErMin= 3 ErrMin= 8.36D-04
 ErrMax= 8.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.94D-05 BMatP= 2.10D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.36D-03
 Coeff-Com: -0.306D-01 0.400D+00 0.630D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.303D-01 0.397D+00 0.633D+00
 Gap=     0.442 Goal=   None    Shift=    0.000
 RMSDP=2.84D-04 MaxDP=3.68D-02 DE=-1.98D-04 OVMax= 2.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.24D+00  1.14D+00  1.05D+00
 E= -197.078551588860     Delta-E=       -0.000095892495 Rises=F Damp=F
 DIIS: error= 1.94D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.078551588860     IErMin= 4 ErrMin= 1.94D-04
 ErrMax= 1.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-06 BMatP= 8.94D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.94D-03
 Coeff-Com: -0.150D-02-0.528D-01 0.103D+00 0.952D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.150D-02-0.527D-01 0.103D+00 0.952D+00
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=9.22D-05 MaxDP=8.98D-03 DE=-9.59D-05 OVMax= 5.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.37D-05    CP:  1.24D+00  1.14D+00  1.13D+00  1.11D+00
 E= -197.078556117578     Delta-E=       -0.000004528718 Rises=F Damp=F
 DIIS: error= 5.29D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.078556117578     IErMin= 5 ErrMin= 5.29D-05
 ErrMax= 5.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-07 BMatP= 3.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-02-0.435D-01 0.184D-02 0.326D+00 0.714D+00
 Coeff:      0.145D-02-0.435D-01 0.184D-02 0.326D+00 0.714D+00
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=6.62D-04 DE=-4.53D-06 OVMax= 1.19D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.16D-06    CP:  1.24D+00  1.14D+00  1.14D+00  1.12D+00  9.09D-01
 E= -197.078556430938     Delta-E=       -0.000000313360 Rises=F Damp=F
 DIIS: error= 8.84D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.078556430938     IErMin= 6 ErrMin= 8.84D-06
 ErrMax= 8.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-08 BMatP= 3.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-03-0.625D-02-0.590D-02 0.699D-02 0.179D+00 0.826D+00
 Coeff:      0.465D-03-0.625D-02-0.590D-02 0.699D-02 0.179D+00 0.826D+00
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=3.86D-06 MaxDP=4.08D-04 DE=-3.13D-07 OVMax= 3.36D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.12D-06    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.53D-01
                    CP:  1.14D+00
 E= -197.078556448128     Delta-E=       -0.000000017190 Rises=F Damp=F
 DIIS: error= 9.54D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.078556448128     IErMin= 7 ErrMin= 9.54D-07
 ErrMax= 9.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-10 BMatP= 1.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.856D-04 0.209D-02 0.392D-03-0.144D-01-0.449D-01-0.388D-01
 Coeff-Com:  0.110D+01
 Coeff:     -0.856D-04 0.209D-02 0.392D-03-0.144D-01-0.449D-01-0.388D-01
 Coeff:      0.110D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=1.49D-06 MaxDP=1.32D-04 DE=-1.72D-08 OVMax= 7.58D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.22D-07    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.58D-01
                    CP:  1.23D+00  1.24D+00
 E= -197.078556448661     Delta-E=       -0.000000000533 Rises=F Damp=F
 DIIS: error= 1.59D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.078556448661     IErMin= 8 ErrMin= 1.59D-07
 ErrMax= 1.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-12 BMatP= 2.24D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-04-0.336D-03-0.729D-05 0.281D-02 0.623D-02 0.387D-03
 Coeff-Com: -0.234D+00 0.123D+01
 Coeff:      0.109D-04-0.336D-03-0.729D-05 0.281D-02 0.623D-02 0.387D-03
 Coeff:     -0.234D+00 0.123D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=2.51D-07 MaxDP=1.73D-05 DE=-5.33D-10 OVMax= 1.46D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.41D-08    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.58D-01
                    CP:  1.25D+00  1.30D+00  1.26D+00
 E= -197.078556448667     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.34D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.078556448667     IErMin= 9 ErrMin= 1.34D-08
 ErrMax= 1.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-14 BMatP= 2.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-05 0.368D-04 0.296D-05-0.347D-03-0.635D-03 0.519D-03
 Coeff-Com:  0.299D-01-0.231D+00 0.120D+01
 Coeff:     -0.102D-05 0.368D-04 0.296D-05-0.347D-03-0.635D-03 0.519D-03
 Coeff:      0.299D-01-0.231D+00 0.120D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=3.25D-08 MaxDP=2.23D-06 DE=-6.08D-12 OVMax= 1.60D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.37D-09    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.58D-01
                    CP:  1.25D+00  1.30D+00  1.29D+00  1.25D+00
 E= -197.078556448658     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 1.39D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -197.078556448667     IErMin=10 ErrMin= 1.39D-09
 ErrMax= 1.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-16 BMatP= 2.77D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.572D-07-0.307D-05-0.135D-06 0.335D-04 0.405D-04-0.137D-03
 Coeff-Com: -0.261D-02 0.270D-01-0.205D+00 0.118D+01
 Coeff:      0.572D-07-0.307D-05-0.135D-06 0.335D-04 0.405D-04-0.137D-03
 Coeff:     -0.261D-02 0.270D-01-0.205D+00 0.118D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=2.41D-09 MaxDP=1.75D-07 DE= 9.04D-12 OVMax= 1.40D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -197.078556449     A.U. after   10 cycles
            NFock= 10  Conv=0.24D-08     -V/T= 2.0061
 KE= 1.958810697485D+02 PE=-8.532831476733D+02 EE= 2.617292201136D+02
 Leave Link  502 at Thu Jan 27 11:50:49 2022, MaxMem=  5368709120 cpu:             300.9 elap:              37.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.10738455D+03

 Leave Link  801 at Thu Jan 27 11:50:49 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.66D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 8.60D-02 6.79D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 1.02D-02 2.19D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 1.12D-03 9.99D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.90D-05 1.60D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 3.41D-07 1.55D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 6.31D-09 2.22D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 1.05D-10 2.45D-06.
     10 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.20D-12 1.84D-07.
      4 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 1.08D-14 1.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.673033D+02
      2 -0.524968D-03  0.673025D+02
      3  0.269939D-03 -0.697373D-03  0.673028D+02
 Isotropic polarizability for W=    0.085645       67.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.353259D+00  0.153599D-01  0.126869D+01
      2   0.158669D+01 -0.986056D+00 -0.470643D+00
      3  -0.123343D+01  0.970696D+00 -0.798047D+00
      4   0.143349D-01  0.158748D+01  0.169492D+01
      5   0.127048D+01  0.169491D+01 -0.123040D+01
      6   0.169516D+01 -0.467693D+00  0.967963D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.672934D-03  0.200253D-02 -0.200042D-02
      2  -0.259452D-02  0.406236D-03  0.214501D-02
      3   0.124994D-02 -0.412089D-03 -0.106426D-02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.236398D-05  0.295079D-02  0.273328D-02
      2  -0.179200D-02 -0.247694D-03  0.303086D-02
      3  -0.102501D-02 -0.793912D-03  0.250058D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.329601D-03  0.292846D-03  0.401154D-03
      2   0.292846D-03 -0.257585D-03 -0.153610D-03
      3   0.401154D-03 -0.153610D-03  0.602100D-03
 OR G Eigenvalues:    -0.0007    -0.0000     0.0008  Iso=    -0.0000
 Eigenvectors:
   (1)   0.754983  -0.584038  -0.298161
   (2)   0.562965   0.810447  -0.162004
   (3)   0.336260  -0.045544   0.940667
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0000 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.25D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.84D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.89D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 6.37D-03 1.89D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 8.34D-04 6.37D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D-05 7.79D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 2.85D-07 8.09D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 4.66D-09 1.60D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 1.44D-11 7.41D-07.
     23 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 7.33D-14 4.30D-08.
      4 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 4.90D-16 4.29D-09.
      1 vectors produced by pass  9 Test12= 1.18D-14 2.78D-09 XBig12= 1.13D-16 3.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.47D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.47D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.58D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.673033D+02 -0.524968D-03  0.269939D-03
      2  -0.524968D-03  0.673025D+02 -0.697373D-03
      3   0.269939D-03 -0.697373D-03  0.673028D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.672934D-03  0.200253D-02 -0.200042D-02
      2  -0.259452D-02  0.406236D-03  0.214501D-02
      3   0.124994D-02 -0.412089D-03 -0.106426D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.353259D+00  0.153599D-01  0.126869D+01
      2   0.158669D+01 -0.986056D+00 -0.470643D+00
      3  -0.123343D+01  0.970696D+00 -0.798047D+00
      4   0.143349D-01  0.158748D+01  0.169492D+01
      5   0.127048D+01  0.169491D+01 -0.123040D+01
      6   0.169516D+01 -0.467693D+00  0.967963D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.102284D+01  0.531070D-01  0.369346D+01  0.543203D-01  0.461229D+01
      2   0.531070D-01  0.460947D+01  0.494206D+01  0.461229D+01 -0.286065D+01
      3   0.369346D+01  0.494206D+01 -0.358364D+01  0.494139D+01 -0.137760D+01
                 6             7             8             9            10 
      1   0.494139D+01  0.369438D+01  0.494300D+01 -0.358721D+01 -0.996058D+00
      2  -0.137760D+01  0.494300D+01 -0.137892D+01  0.281153D+01 -0.126139D+00
      3   0.281712D+01 -0.358721D+01  0.281153D+01 -0.231382D+01 -0.245852D+01
                11            12            13            14            15 
      1  -0.126139D+00 -0.245852D+01  0.106054D+00 -0.447692D+01 -0.383550D+01
      2  -0.363575D+01 -0.383630D+01 -0.447692D+01  0.141465D+01  0.189734D+01
      3  -0.383630D+01  0.289936D+01 -0.383550D+01  0.189734D+01 -0.200717D+01
                16            17            18            19            20 
      1  -0.315206D+01 -0.383725D+01  0.206389D+01  0.244575D+01  0.408566D+00
      2  -0.383725D+01  0.120733D+01 -0.224175D+01  0.408566D+00 -0.361208D+01
      3   0.206389D+01 -0.224175D+01  0.336637D+01 -0.239942D+01 -0.398519D+01
                21            22            23            24            25 
      1  -0.239942D+01 -0.275830D+00 -0.289606D+01 -0.398494D+01 -0.290380D+01
      2  -0.398519D+01 -0.289606D+01  0.377059D+01  0.137665D+01 -0.398466D+01
      3   0.264730D+01 -0.398494D+01  0.137665D+01 -0.207749D+01  0.336333D+01
                26            27            28            29            30 
      1  -0.398466D+01  0.336333D+01  0.215340D+01 -0.956658D+00 -0.300067D+01
      2   0.867878D+00 -0.139427D+01 -0.956658D+00 -0.385187D+01 -0.384031D+01
      3  -0.139427D+01  0.307952D+01 -0.300067D+01 -0.384031D+01  0.277469D+01
                31            32            33            34            35 
      1  -0.171298D-01 -0.333170D+01 -0.384082D+01 -0.271916D+01 -0.384186D+01
      2  -0.333170D+01  0.376428D+00  0.976488D+00 -0.384186D+01  0.126175D+01
      3  -0.384082D+01  0.976488D+00 -0.230506D+01  0.329756D+01 -0.324631D+01
                36            37            38            39            40 
      1   0.329756D+01 -0.373374D+00  0.520237D+00 -0.376430D+01  0.281904D-01
      2  -0.324631D+01  0.520237D+00 -0.341041D+01 -0.389660D+01 -0.381037D+01
      3   0.878833D+00 -0.376430D+01 -0.389660D+01  0.296269D+01 -0.389920D+01
                41            42            43            44            45 
      1  -0.381037D+01 -0.389920D+01 -0.284892D+01 -0.389834D+01  0.256510D+01
      2   0.344772D+01  0.855983D-01 -0.389834D+01  0.100029D+01 -0.197570D+01
      3   0.855983D-01 -0.247356D+01  0.256510D+01 -0.197570D+01 -0.395382D-01
                46            47            48            49            50 
      1  -0.700316D+00  0.434830D+00 -0.619715D+00  0.764126D+00  0.283444D+00
      2   0.434830D+00 -0.544078D+00  0.978292D+00  0.283444D+00  0.187261D+01
      3  -0.619715D+00  0.978292D+00 -0.215348D+01  0.337838D+00 -0.203672D+01
                51            52            53            54            55 
      1   0.337838D+00 -0.116600D+01  0.382944D+00 -0.293185D+00  0.324065D+01
      2  -0.203672D+01  0.382944D+00 -0.214239D+01  0.246929D+01 -0.173788D+01
      3   0.277664D+01 -0.293185D+00  0.246929D+01 -0.701093D+01 -0.102147D+01
                56            57            58            59            60 
      1  -0.173788D+01 -0.102147D+01 -0.328189D+01  0.272424D+01  0.171378D+01
      2   0.214108D+01  0.100999D+01  0.272424D+01 -0.443599D+01 -0.166854D+01
      3   0.100999D+01  0.938144D+00  0.171378D+01 -0.166854D+01 -0.198285D+01
                61            62            63            64            65 
      1  -0.748061D+00  0.943009D+00  0.920873D+00  0.497915D+01  0.232887D+01
      2   0.943009D+00 -0.113511D+01 -0.867959D+00  0.232887D+01  0.246344D+01
      3   0.920873D+00 -0.867959D+00 -0.175394D+01  0.787627D+00  0.696357D+00
                66            67            68            69            70 
      1   0.787627D+00  0.307498D+01  0.274027D+01  0.633995D+00  0.244993D+01
      2   0.696357D+00  0.274027D+01  0.308852D+01  0.342383D+00  0.136166D+01
      3   0.924973D+00  0.633995D+00  0.342383D+00  0.128193D+01  0.767551D+00
                71            72            73            74            75 
      1   0.136166D+01  0.767551D+00 -0.232943D+01  0.274703D+00 -0.159199D+01
      2   0.130250D+01  0.945767D+00  0.274703D+00 -0.338522D+00  0.624443D+00
      3   0.945767D+00  0.918785D+00 -0.159199D+01  0.624443D+00 -0.222950D+01
                76            77            78            79            80 
      1   0.134647D+01 -0.330733D+00  0.132338D+01 -0.224470D+01  0.552252D+00
      2  -0.330733D+00  0.836854D+00 -0.115342D+01  0.552252D+00 -0.154342D+01
      3   0.132338D+01 -0.115342D+01  0.233726D+01 -0.282907D+01  0.837459D+00
                81            82            83            84            85 
      1  -0.282907D+01 -0.609918D+01 -0.188056D+01  0.181604D+01 -0.122132D+01
      2   0.837459D+00 -0.188056D+01 -0.147887D+01  0.808933D+00 -0.105381D+01
      3  -0.635765D+01  0.181604D+01  0.808933D+00 -0.197693D+01  0.752651D+00
                86            87            88            89            90 
      1  -0.105381D+01  0.752651D+00  0.349330D+01  0.147810D+01 -0.197626D+01
      2  -0.156779D+01  0.433845D+00  0.147810D+01  0.141281D+01 -0.590064D+00
      3   0.433845D+00 -0.347287D+00 -0.197626D+01 -0.590064D+00  0.189036D+01
                91            92            93            94            95 
      1   0.104223D+01 -0.117603D+01 -0.213623D+00 -0.153320D+01  0.107460D+01
      2  -0.117603D+01  0.294544D+01  0.116009D+01  0.107460D+01 -0.736390D+01
      3  -0.213623D+00  0.116009D+01  0.825071D+00  0.517691D+00 -0.211818D+01
                96            97            98            99           100 
      1   0.517691D+00 -0.224006D+00  0.563172D+00 -0.153825D-01 -0.204823D+01
      2  -0.211818D+01  0.563172D+00 -0.169010D+01 -0.132469D+01  0.139191D+01
      3  -0.169357D+01 -0.153825D-01 -0.132469D+01 -0.154503D+01 -0.924123D+00
               101           102           103           104           105 
      1   0.139191D+01 -0.924123D+00  0.117085D+01 -0.100773D+01  0.102749D+01
      2  -0.113091D+01  0.108591D+01 -0.100773D+01  0.307763D+01 -0.169250D+01
      3   0.108591D+01 -0.153168D+01  0.102749D+01 -0.169250D+01  0.184368D+01
               106           107           108           109           110 
      1  -0.192381D+01  0.175448D+01 -0.183481D+01  0.208778D+01  0.169351D+01
      2   0.175448D+01 -0.339478D+01  0.247130D+01  0.169351D+01  0.355721D+01
      3  -0.183481D+01  0.247130D+01 -0.406517D+01  0.123923D+01  0.158606D+01
               111           112           113           114           115 
      1   0.123923D+01  0.150308D+01  0.166404D+01  0.946253D+00  0.130851D+01
      2   0.158606D+01  0.166404D+01  0.480642D+01  0.174092D+01  0.987323D+00
      3   0.140861D+01  0.946253D+00  0.174092D+01  0.181848D+01  0.551165D+00
               116           117           118           119           120 
      1   0.987323D+00  0.551165D+00 -0.547313D+01  0.622899D+00  0.287438D+01
      2   0.224285D+01  0.203407D+01  0.622899D+00 -0.106740D+01  0.127292D-01
      3   0.203407D+01  0.206170D+01  0.287438D+01  0.127292D-01 -0.281832D+01
               121           122           123           124           125 
      1  -0.853585D+00 -0.345235D+00  0.711203D+00  0.323782D+01 -0.577664D-01
      2  -0.345235D+00 -0.291619D+00  0.415743D+00 -0.577664D-01  0.104929D+01
      3   0.711203D+00  0.415743D+00 -0.424137D+00 -0.270652D+01  0.623152D+00
               126           127           128           129           130 
      1  -0.270652D+01  0.243210D+01 -0.208311D+01  0.494425D+00 -0.243946D+01
      2   0.623152D+00 -0.208311D+01  0.287489D+01  0.137869D+00  0.290931D+01
      3   0.327807D+01  0.494425D+00  0.137869D+00  0.589798D+00  0.780943D-01
               131           132           133           134           135 
      1   0.290931D+01  0.780943D-01 -0.444789D+00  0.804224D+00  0.191855D+00
      2  -0.664890D+01  0.392381D+00  0.804224D+00 -0.124506D+01 -0.535729D+00
      3   0.392381D+00 -0.131149D+01  0.191855D+00 -0.535729D+00 -0.407900D+00
               136           137           138           139           140 
      1  -0.316772D+01 -0.927842D+00  0.253055D+01 -0.673532D+00 -0.413554D+00
      2  -0.927842D+00 -0.128306D+01  0.146646D+01 -0.413554D+00 -0.136509D+01
      3   0.253055D+01  0.146646D+01 -0.402447D+01  0.824509D+00  0.113854D+01
               141           142           143           144           145 
      1   0.824509D+00  0.214802D+01  0.866559D+00 -0.212114D+01  0.382923D+01
      2   0.113854D+01  0.866559D+00  0.118419D+01 -0.114893D+01  0.115959D+01
      3  -0.908268D+00 -0.212114D+01 -0.114893D+01  0.483982D+01  0.255813D+01
               146           147           148           149           150 
      1   0.115959D+01  0.255813D+01  0.224788D+01  0.165792D+01  0.175220D+01
      2   0.176142D+01  0.104922D+01  0.165792D+01  0.184251D+01  0.124707D+01
      3   0.104922D+01  0.234739D+01  0.175220D+01  0.124707D+01  0.265578D+01
               151           152           153 
      1   0.204336D+01  0.983154D+00  0.164225D+01
      2   0.983154D+00  0.100091D+01  0.113284D+01
      3   0.164225D+01  0.113284D+01  0.318053D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.367630D-02 -0.398759D-03  0.288766D-02  0.360966D-02 -0.753891D-02
      2   0.460796D-02  0.106982D-01  0.459556D+01  0.251255D-02 -0.215231D-02
      3  -0.130584D-01 -0.459931D+01 -0.505532D-02  0.459294D+01 -0.126056D-01
                 6             7             8             9            10 
      1  -0.459204D+01  0.142348D-01  0.458709D+01 -0.647727D-02  0.109869D+01
      2   0.400983D-02 -0.458742D+01 -0.637364D-02  0.577155D-02 -0.644807D+01
      3  -0.264561D-02  0.280153D-02  0.303052D-02 -0.777910D-02 -0.856503D+00
                11            12            13            14            15 
      1   0.639882D+01  0.350726D+01  0.773470D+01 -0.181499D+01 -0.403245D+01
      2  -0.578286D+01  0.300636D+01 -0.541281D+01 -0.247544D+01 -0.741509D+01
      3   0.402981D+01  0.468390D+01  0.934589D+01 -0.304622D+01 -0.525868D+01
                16            17            18            19            20 
      1   0.396413D+01  0.752964D+00  0.719203D+00 -0.305502D+01 -0.195407D+01
      2  -0.327430D+01 -0.787071D+01  0.892126D+01  0.607105D+01  0.573929D+01
      3   0.431092D+01 -0.392213D+01  0.390626D+01 -0.388332D+01 -0.675580D+01
                21            22            23            24            25 
      1   0.695798D+01 -0.279436D+01 -0.273464D+01 -0.516652D+01  0.809209D+01
      2  -0.352799D+01  0.493657D+01 -0.405034D+01 -0.151170D+01 -0.885681D+01
      3  -0.268496D+01 -0.937228D+00  0.934355D+01  0.684661D+01 -0.187829D+01
                26            27            28            29            30 
      1   0.597767D-01  0.577611D+01  0.421488D+01  0.435990D+01 -0.674771D+01
      2  -0.264599D+01 -0.202597D+01  0.110325D+01  0.427739D+01  0.584508D+00
      3   0.600625D+01 -0.544594D+01  0.413499D+01 -0.797152D+01 -0.849242D+01
                31            32            33            34            35 
      1   0.470358D+01 -0.221131D+01  0.326225D+01 -0.787995D+01  0.904761D+01
      2   0.366751D+01  0.713383D+00  0.442155D+01 -0.379123D+01  0.555462D+01
      3  -0.174735D+01 -0.646256D+01 -0.541713D+01 -0.788308D+01 -0.507519D+01
                36            37            38            39            40 
      1  -0.200705D+01 -0.227091D+01 -0.879365D+01 -0.374313D+01 -0.963743D+01
      2  -0.180942D+01 -0.715372D+00 -0.423564D+01  0.108545D+02 -0.319716D+01
      3   0.232438D+01  0.603669D+00 -0.224444D+00  0.650482D+01  0.426636D+01
                41            42            43            44            45 
      1   0.674910D+01 -0.498783D+01 -0.419477D+01  0.106307D+01 -0.449611D+01
      2   0.580980D+01  0.452451D+01  0.499717D+01  0.497579D+01 -0.510231D+01
      3   0.175710D+00  0.382675D+01  0.547039D+01  0.298478D+01 -0.779931D+00
                46            47            48            49            50 
      1  -0.293838D+00  0.974778D+00  0.147484D+00 -0.389814D+00 -0.218651D+01
      2  -0.273122D+01  0.161340D+01 -0.211702D+01  0.274725D+01 -0.226780D+01
      3  -0.139762D+01 -0.650265D-01 -0.132204D+01  0.149000D+01 -0.195738D+01
                51            52            53            54            55 
      1  -0.264798D+00 -0.408997D+00  0.420931D+01  0.748226D+00  0.237370D+01
      2   0.430256D+01 -0.515289D+01  0.406377D+01 -0.946042D+01  0.244949D+01
      3   0.263814D+01 -0.226245D+01  0.291248D+01 -0.366463D+01  0.254362D+01
                56            57            58            59            60 
      1  -0.368835D+01 -0.742839D+00 -0.328791D+01  0.666052D+01 -0.978966D-01
      2  -0.487798D+00  0.176822D+01 -0.208857D+01  0.857174D+00 -0.207657D+01
      3  -0.559899D+01 -0.187258D+01 -0.214214D+01  0.869752D+01  0.243362D+01
                61            62            63            64            65 
      1  -0.150691D+01  0.281567D+01  0.899656D+00 -0.302761D+01 -0.287634D+01
      2  -0.925960D+00  0.117032D+00 -0.157982D+01  0.597749D+01  0.389179D+01
      3  -0.139687D+01  0.263994D+01  0.140719D+01 -0.362281D+00 -0.478567D+01
                66            67            68            69            70 
      1  -0.245752D+01 -0.307505D+01 -0.293357D+01 -0.300342D+01 -0.153973D+01
      2   0.466243D+01  0.404006D+01  0.355303D+01  0.420814D+01  0.204192D+01
      3  -0.875592D+00 -0.602852D+00 -0.414336D+01 -0.460075D+00 -0.932662D-01
                71            72            73            74            75 
      1  -0.738938D+00 -0.223100D+01 -0.191142D+01  0.196417D+01 -0.319531D+01
      2   0.265180D+01  0.320328D+01 -0.834700D+00 -0.623096D+00  0.289909D+01
      3  -0.210338D+01 -0.112002D+01  0.231696D+01 -0.206891D+01  0.251808D+01
                76            77            78            79            80 
      1   0.129383D+01 -0.308336D+01  0.226798D+01 -0.344675D+01  0.547648D+01
      2   0.656143D+00  0.119613D+01 -0.209380D+01 -0.127693D+01 -0.863921D+00
      3  -0.381196D+00  0.201070D+01 -0.248151D+01  0.261008D+01 -0.386347D+01
                81            82            83            84            85 
      1  -0.711743D+01  0.372396D+01  0.121187D+01 -0.395158D+01  0.168986D+01
      2   0.592063D+01 -0.613863D+01 -0.238539D+01  0.688139D+01 -0.202058D+01
      3   0.432226D+01  0.503352D+01 -0.215594D+01 -0.132732D+01  0.152989D+01
                86            87            88            89            90 
      1   0.121102D+01 -0.176000D+01 -0.305483D+01  0.752838D-01  0.325062D+01
      2  -0.122466D+01  0.165090D+01  0.332774D+01  0.139334D+01 -0.537193D+01
      3  -0.107698D+01 -0.483469D+00 -0.261812D+01  0.143944D+01  0.166923D+01
                91            92            93            94            95 
      1   0.831111D+00 -0.144759D+01  0.107605D+01 -0.524632D+00  0.431070D+01
      2   0.164159D+01 -0.199638D+01  0.196018D+00 -0.294391D+01  0.353257D+01
      3  -0.388163D+01  0.317088D+01  0.117070D+01  0.655533D+01 -0.911949D+01
                96            97            98            99           100 
      1  -0.295359D+01 -0.551524D+00  0.127515D+01 -0.120325D+01  0.186639D+01
      2   0.179927D+01 -0.126241D+01  0.180917D+01  0.127780D+01  0.814228D+00
      3  -0.299890D+01  0.166991D+01 -0.280910D+01 -0.127686D+01 -0.224921D+01
               101           102           103           104           105 
      1  -0.174906D+01  0.384767D+01 -0.226933D+01  0.304807D+01 -0.556584D+01
      2  -0.150772D+01  0.310189D+01 -0.770640D+00  0.196087D+01 -0.288399D+01
      3  -0.307780D+00 -0.339772D+00  0.254274D+01  0.138809D+01  0.319362D+00
               106           107           108           109           110 
      1   0.327532D+01 -0.240395D+01  0.893854D+01 -0.124463D+01  0.628898D-01
      2   0.451215D-01 -0.249917D+01  0.540851D+01 -0.292667D+01 -0.186243D+01
      3  -0.264383D+01 -0.112728D+01 -0.778512D+00  0.617154D+01  0.329624D+01
               111           112           113           114           115 
      1  -0.262693D+01 -0.898979D+00  0.165123D+00 -0.412487D+01 -0.429048D+00
      2  -0.198869D+00 -0.254786D+01 -0.234443D+01 -0.136533D+01 -0.259481D+01
      3   0.310128D+01  0.628030D+01  0.572309D+01  0.323389D+01  0.422901D+01
               116           117           118           119           120 
      1  -0.434670D+00 -0.284120D+01 -0.426703D+01 -0.210369D+01  0.466413D+01
      2  -0.194361D+01 -0.118738D+01  0.118984D+01 -0.363251D+00  0.350640D+01
      3   0.300625D+01  0.239268D+01 -0.759735D+01 -0.292136D+01  0.461657D+01
               121           122           123           124           125 
      1  -0.919384D+00 -0.124579D+01 -0.107849D+00  0.401528D+01  0.183404D+01
      2   0.121456D+00 -0.234174D+00  0.372928D+00 -0.105432D+01 -0.412408D+00
      3  -0.357606D+00 -0.141025D+01  0.115149D+01  0.525852D+01  0.252555D+01
               126           127           128           129           130 
      1  -0.441404D+01 -0.255933D+01  0.477839D+01  0.205354D+01  0.448727D+01
      2  -0.268548D+01 -0.286354D+01  0.305414D+01  0.137545D+01  0.374677D+01
      3  -0.362018D+01 -0.157948D+01 -0.179008D+01 -0.513023D+00  0.276430D+01
               131           132           133           134           135 
      1  -0.937803D+01 -0.395309D+01  0.100483D+01 -0.104906D+01 -0.191396D+01
      2  -0.428670D+01 -0.246434D+01 -0.233540D+00 -0.122722D+01 -0.103551D+01
      3   0.299172D+01 -0.211837D+00  0.360938D+00  0.422951D+00  0.225209D+00
               136           137           138           139           140 
      1   0.712543D+00 -0.216653D+01 -0.153688D+01  0.232623D+00 -0.141167D+01
      2   0.815961D+01  0.191573D+01 -0.380165D+01  0.220705D+01  0.108531D+01
      3   0.386614D+01 -0.565504D+00 -0.262566D+01  0.179744D+01  0.606119D+00
               141           142           143           144           145 
      1  -0.363793D+00 -0.410496D+00  0.288179D+01  0.244986D+01  0.381217D+01
      2  -0.179815D+01 -0.725589D+01 -0.212809D+01  0.521680D+01 -0.475269D+01
      3  -0.129802D+01 -0.311349D+01 -0.535894D+00  0.254807D+01 -0.284970D+01
               146           147           148           149           150 
      1   0.502885D+01  0.274490D+01  0.365116D+01  0.486327D+01  0.179250D+01
      2  -0.125826D+01 -0.135052D+00 -0.314378D+01 -0.182256D+01  0.325114D+00
      3  -0.433840D+01 -0.253666D+01 -0.134532D+01 -0.370785D+01 -0.183725D+01
               151           152           153 
      1   0.305682D+01  0.420020D+01  0.344803D+01
      2  -0.379692D+01 -0.967841D+00  0.303831D+00
      3  -0.202317D+01 -0.250424D+01 -0.210143D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.441500D+01 -0.274461D+01  0.249300D+01 -0.274621D+01 -0.181304D+01
      2  -0.182119D+01  0.293665D+01 -0.116331D+01  0.293714D+01  0.193296D+01
      3  -0.259381D+01 -0.192047D+00 -0.132968D+01 -0.190930D+00 -0.119922D+00
      4  -0.275475D+01 -0.185338D+01 -0.785789D+00 -0.185276D+01  0.294196D+01
      5   0.248525D+01 -0.788280D+00 -0.263197D+01 -0.784779D+00 -0.116908D+01
      6  -0.785982D+00 -0.116314D+01 -0.203703D+00 -0.116507D+01 -0.341398D+01
                 6             7             8             9            10 
      1  -0.781195D+00  0.249992D+01 -0.774297D+00 -0.260564D+01 -0.517504D+01
      2  -0.340548D+01 -0.116043D+01 -0.340311D+01 -0.111487D+00 -0.389858D+01
      3   0.418667D+01 -0.133949D+01  0.417741D+01  0.271713D+01  0.907361D+01
      4  -0.116570D+01 -0.782034D+00 -0.116428D+01 -0.203169D+00 -0.143279D+01
      5  -0.198796D+00 -0.263477D+01 -0.196633D+00 -0.133414D+01 -0.573982D+01
      6  -0.145303D+00 -0.204579D+00 -0.145253D+00  0.418200D+01 -0.408890D+01
                11            12            13            14            15 
      1  -0.430620D+01 -0.199748D+01 -0.446330D+01 -0.812489D+01 -0.139397D+02
      2  -0.609544D+01  0.336317D+01 -0.496224D+01  0.518872D+01  0.149663D+01
      3   0.104016D+02 -0.136569D+01  0.942554D+01  0.293617D+01  0.124431D+02
      4  -0.122104D+02 -0.972947D+01 -0.132778D+02  0.258815D+01  0.176633D+01
      5  -0.841673D+01  0.586771D+01 -0.939055D+01  0.645914D+01  0.289880D+01
      6   0.412327D+01  0.855352D+01  0.472870D+01 -0.387893D+01 -0.677808D+01
                16            17            18            19            20 
      1  -0.252524D+01 -0.142179D+02  0.134552D+02 -0.829139D+01 -0.895144D+01
      2   0.274616D+01  0.225504D+01 -0.146382D+01  0.245274D+01  0.627999D+01
      3  -0.220921D+00  0.119629D+02 -0.119913D+02  0.583865D+01  0.267145D+01
      4  -0.109866D+02  0.543049D+00 -0.104439D+01 -0.392330D+01  0.151618D+01
      5   0.605270D+01  0.214998D+01 -0.100612D+01  0.521415D+01  0.696355D+01
      6   0.682825D+01 -0.677168D+01  0.789423D+01  0.647228D+01  0.106116D+02
                21            22            23            24            25 
      1   0.532282D+01 -0.889510D+01  0.135557D+02  0.899581D+01  0.615966D+01
      2   0.864826D+01  0.485990D+01 -0.136791D+02 -0.110176D+02  0.763652D+01
      3  -0.139711D+02  0.403520D+01  0.123460D+00  0.202177D+01 -0.137962D+02
      4   0.106141D+02  0.252455D+01  0.336151D+01  0.449951D+01  0.116226D+02
      5  -0.573715D+01  0.720804D+01  0.401099D+01  0.805011D+01 -0.704985D+01
      6   0.162675D+00  0.934383D+01 -0.744424D+01 -0.158303D+01  0.102661D+00
                26            27            28            29            30 
      1   0.976238D+01 -0.521862D+01 -0.291597D+01  0.693925D+01  0.108334D+02
      2  -0.109853D+02  0.112522D+02  0.490385D+01 -0.890612D+01 -0.166566D+02
      3   0.122292D+01 -0.603360D+01 -0.198788D+01  0.196688D+01  0.582319D+01
      4   0.475357D+01  0.794772D+00  0.218526D+01 -0.720163D+00 -0.226080D+01
      5   0.662312D+01 -0.905473D+01  0.660535D+01  0.278316D+01 -0.101203D+02
      6  -0.748009D+00  0.114483D+01 -0.529690D+01 -0.131880D+02  0.420690D+01
                31            32            33            34            35 
      1   0.682703D+01  0.507350D+01  0.581701D+01  0.113793D+02  0.475665D+01
      2  -0.821318D+01 -0.191798D+01 -0.336684D+00 -0.164769D+02 -0.275313D+00
      3   0.138615D+01 -0.315552D+01 -0.548033D+01  0.509760D+01 -0.448134D+01
      4  -0.775946D-01 -0.101899D+02 -0.111625D+02 -0.151500D+01 -0.121609D+02
      5   0.458748D+01 -0.668708D+01  0.841067D+00 -0.103322D+02  0.220957D+01
      6  -0.120108D+02  0.226556D+01 -0.861260D+01  0.499136D+01 -0.938917D+01
                36            37            38            39            40 
      1  -0.222652D+01  0.320637D+01  0.159304D+01 -0.983109D+01  0.181172D+01
      2  -0.275710D+01  0.380093D+01  0.138281D+02  0.262490D+01  0.134192D+02
      3   0.498362D+01 -0.700730D+01 -0.154211D+02  0.720619D+01 -0.152309D+02
      4   0.777235D+01 -0.155532D+01 -0.738586D+01  0.318052D-01 -0.796622D+01
      5   0.145545D-01 -0.176041D+01 -0.267866D+01 -0.101542D+02 -0.375720D+01
      6   0.316710D+01  0.156822D+01 -0.356444D+01 -0.132715D+02 -0.406972D+01
                41            42            43            44            45 
      1  -0.324424D+01 -0.224461D+01 -0.106985D+02 -0.168087D+01 -0.729448D-01
      2  -0.707805D+01  0.399051D+01  0.407371D+01  0.314524D+01  0.318219D+01
      3   0.103223D+02 -0.174590D+01  0.662482D+01 -0.146436D+01 -0.310925D+01
      4   0.933200D+01  0.288760D+01 -0.477377D+00  0.484602D+01 -0.786276D+01
      5  -0.577830D+01 -0.121528D+02 -0.880326D+01 -0.113368D+02  0.773567D+01
      6   0.319205D+01  0.113169D+01 -0.122721D+02  0.105671D+01 -0.496533D+01
                46            47            48            49            50 
      1  -0.134458D+01  0.325541D+01 -0.563802D+01  0.292105D+01 -0.580769D+01
      2  -0.500872D+00 -0.112559D+01 -0.160717D+01 -0.920690D+00  0.253296D+01
      3   0.184546D+01 -0.212982D+01  0.724518D+01 -0.200036D+01  0.327473D+01
      4  -0.831009D+00  0.220145D+01 -0.222711D+00  0.381752D+01  0.230368D+01
      5   0.301921D+01 -0.745499D+00  0.294855D+01 -0.182642D+01 -0.265507D+01
      6  -0.178343D+01  0.301636D+01 -0.385232D+01  0.130467D+00 -0.868539D+01
                51            52            53            54            55 
      1   0.941868D+01 -0.434894D+01  0.907085D+01 -0.196057D+02  0.128453D+02
      2   0.299721D+00  0.135089D+01 -0.570434D+00 -0.102542D+02 -0.726912D+01
      3  -0.971840D+01  0.299805D+01 -0.850042D+01  0.298599D+02 -0.557616D+01
      4  -0.279677D+01 -0.863718D+00 -0.358638D+01  0.361793D+01 -0.763950D+01
      5   0.372290D+01  0.589458D+01  0.305160D+01 -0.921573D+01 -0.944949D+01
      6   0.114666D+02 -0.117905D+01  0.117622D+02 -0.151678D+02  0.457351D+01
                56            57            58            59            60 
      1  -0.553195D+01 -0.280497D+01 -0.915904D+01  0.273699D+01  0.119430D+01
      2   0.436768D+01  0.395861D+01  0.601649D+01  0.104926D+01 -0.399723D+01
      3   0.116427D+01 -0.115364D+01  0.314255D+01 -0.378625D+01  0.280293D+01
      4   0.104801D+02  0.396745D+01  0.119386D+02 -0.153089D+02 -0.489316D+01
      5   0.649669D+01  0.717183D+01  0.100583D+02 -0.731565D+01 -0.886265D+01
      6  -0.529198D+01 -0.345118D+01 -0.614476D+01  0.117515D+02  0.744371D+01
                61            62            63            64            65 
      1  -0.213199D+01  0.178468D+01 -0.132252D+01  0.221132D+02  0.865710D+01
      2   0.365625D+01 -0.273686D+01 -0.371269D+01 -0.627933D+01  0.122218D+01
      3  -0.152425D+01  0.952183D+00  0.503521D+01 -0.158339D+02 -0.987928D+01
      4   0.357188D+01 -0.355798D+01 -0.330795D+01  0.145846D+02  0.134778D+02
      5   0.675847D+01 -0.521301D+01 -0.659175D+01 -0.193814D+01 -0.574786D-01
      6  -0.362055D+01  0.641072D+01  0.289835D+01 -0.155666D+01 -0.288671D+01
                66            67            68            69            70 
      1   0.390818D+01  0.108174D+02  0.466174D+01  0.308078D+01  0.811669D+01
      2  -0.721998D-02  0.325957D+00  0.580341D+01  0.174440D+01 -0.212720D+01
      3  -0.390096D+01 -0.111433D+02 -0.104651D+02 -0.482517D+01 -0.598949D+01
      4   0.323740D+01  0.145231D+02  0.135658D+02  0.205601D+01  0.616171D+01
      5   0.496230D+01 -0.894236D+00 -0.102152D+01  0.385309D+01  0.339004D+01
      6   0.578156D+00 -0.252929D+01 -0.183559D+01  0.356965D+01  0.538482D+00
                71            72            73            74            75 
      1   0.308135D+01  0.115983D+01  0.727815D+01 -0.516236D+00  0.305312D+01
      2   0.229176D+01 -0.229729D+00 -0.782602D+01  0.163257D+01 -0.854039D+01
      3  -0.537311D+01 -0.930100D+00  0.547868D+00 -0.111634D+01  0.548727D+01
      4   0.542615D+01  0.341265D+01  0.146153D+01  0.306410D+01 -0.538208D+00
      5   0.249267D+01  0.455004D+01  0.949619D+01 -0.263300D+01  0.124414D+02
      6   0.221994D+01  0.124257D+01  0.295443D+00  0.418429D+00  0.214482D+01
                76            77            78            79            80 
      1  -0.262232D+01 -0.156039D+01 -0.231004D+00  0.416041D+01 -0.176283D+01
      2   0.340003D+01 -0.631969D+00  0.697305D+01 -0.995653D+01  0.577429D+01
      3  -0.777710D+00  0.219236D+01 -0.674205D+01  0.579612D+01 -0.401146D+01
      4   0.205616D+01 -0.363850D+01  0.263617D+01  0.425308D+00  0.397928D+01
      5  -0.569710D+01  0.295555D+01 -0.670360D+01  0.144349D+02 -0.305594D+01
      6   0.543316D+00 -0.259809D+01  0.334604D+01  0.216540D+01  0.521401D+01
                81            82            83            84            85 
      1  -0.339594D+01  0.255518D+02  0.541135D+01 -0.753234D+01  0.433090D+01
      2  -0.185329D+02 -0.799839D+01  0.166966D+01  0.535905D+00  0.148799D+01
      3   0.219288D+02 -0.175534D+02 -0.708101D+01  0.699643D+01 -0.581889D+01
      4  -0.244239D-01  0.167888D+02  0.107673D+02 -0.555419D+01  0.900151D+01
      5   0.204937D+02 -0.366469D+01 -0.131756D+01  0.764746D+01 -0.106341D+01
      6   0.426602D+01 -0.367397D+01 -0.187994D+01  0.460192D+01 -0.228268D+01
                86            87            88            89            90 
      1   0.610325D+00 -0.185178D+01 -0.116468D+02 -0.185635D+01  0.457852D+01
      2   0.440837D+01 -0.121191D+00  0.266672D+01 -0.184047D+01 -0.310836D+01
      3  -0.501869D+01  0.197297D+01  0.898007D+01  0.369682D+01 -0.147016D+01
      4   0.629542D+01 -0.371652D+01 -0.905723D+01 -0.703045D+01  0.423751D+01
      5  -0.166798D+01  0.578390D+00  0.701666D+01  0.140844D+01 -0.669145D+01
      6  -0.197687D+00  0.317498D+01  0.410795D+01  0.303279D+01 -0.562089D+01
                91            92            93            94            95 
      1  -0.154179D+01  0.802480D+01  0.245319D+01  0.633867D+01 -0.215209D+02
      2   0.334087D+01 -0.101475D+02 -0.185087D+01 -0.567912D+01  0.316016D+02
      3  -0.179908D+01  0.212266D+01 -0.602319D+00 -0.659552D+00 -0.100807D+02
      4  -0.392278D+01  0.387271D+01  0.214894D+00  0.599315D+01  0.437132D+01
      5  -0.305635D+01  0.166012D+01  0.202121D+01  0.255058D+01 -0.250678D+00
      6   0.201742D+01 -0.609386D+01 -0.464413D+01 -0.293359D+01  0.172336D+02
                96            97            98            99           100 
      1  -0.792241D+01  0.115758D+01 -0.705260D+01 -0.468352D+01  0.454686D+01
      2   0.660910D+01 -0.168556D+01  0.609175D+01  0.168199D+01  0.167970D+00
      3   0.131331D+01  0.527973D+00  0.960846D+00  0.300153D+01 -0.471483D+01
      4   0.116697D+01  0.173054D+00  0.113409D+01  0.309193D+00 -0.846995D+01
      5   0.639353D+00  0.306118D+01 -0.189522D+00  0.153758D+01  0.321509D+01
      6   0.112619D+02 -0.170210D+01  0.985917D+01  0.656186D+01 -0.331556D+01
               101           102           103           104           105 
      1  -0.143965D+01  0.919572D+00 -0.127997D+01 -0.552502D+01  0.147599D+01
      2  -0.341787D+01  0.254169D+01 -0.327282D+01  0.134939D+02 -0.615563D+01
      3   0.485752D+01 -0.346126D+01  0.455279D+01 -0.796889D+01  0.467965D+01
      4   0.850662D+01 -0.505940D+01  0.791626D+01 -0.875400D+01  0.654220D+01
      5  -0.291445D+01  0.662060D+01 -0.251993D+01  0.395177D+01 -0.361607D+01
      6   0.445869D+01 -0.522403D+01  0.448656D+01 -0.743089D+01  0.970995D+01
               106           107           108           109           110 
      1   0.237124D+01  0.384001D+01 -0.263484D+01 -0.209255D+01 -0.857065D+01
      2   0.224641D+01 -0.104713D+02  0.263848D+01  0.367382D+01  0.129570D+02
      3  -0.461765D+01  0.663124D+01 -0.364105D-02 -0.158127D+01 -0.438633D+01
      4  -0.865074D+01  0.997117D+01 -0.733599D+01  0.891844D+01  0.709099D+01
      5   0.710424D+01 -0.466847D+01  0.908101D+01  0.300953D+01  0.173004D+01
      6  -0.582399D+01  0.112367D+02 -0.152846D+02  0.495983D+01  0.827137D+01
               111           112           113           114           115 
      1  -0.540808D+01 -0.603977D+01 -0.153634D+02 -0.767967D+01 -0.455969D+01
      2   0.385161D+01  0.764441D+01  0.232822D+02  0.711551D+01  0.368920D+01
      3   0.155647D+01 -0.160464D+01 -0.791882D+01  0.564161D+00  0.870492D+00
      4   0.373617D+01  0.729136D+01  0.464312D+01  0.284175D+01  0.426143D+01
      5   0.360091D+01  0.132210D+01  0.144167D+01  0.824380D-03  0.422379D+01
      6   0.679776D+01  0.533182D+01  0.123892D+02  0.109084D+02  0.343283D+01
               116           117           118           119           120 
      1  -0.854224D+01 -0.681635D+01  0.182977D+02  0.545474D+00 -0.683875D+01
      2   0.861634D+01  0.362387D+01 -0.131204D+02 -0.276617D+01  0.954668D+01
      3  -0.740943D-01  0.319247D+01 -0.517725D+01  0.222070D+01 -0.270793D+01
      4   0.265297D+01  0.136356D+01 -0.115987D+02  0.656862D+01  0.606266D+01
      5   0.406826D+00  0.114422D+01 -0.153021D+02  0.968217D+00  0.132544D+02
      6   0.116391D+02  0.964574D+01  0.641781D+01 -0.191659D+01 -0.680687D+01
               121           122           123           124           125 
      1   0.278885D+01  0.568838D+00 -0.118429D+01 -0.815884D+01 -0.176857D+01
      2  -0.303399D+01 -0.443917D+00  0.295534D+01  0.984215D+01  0.310276D+01
      3   0.245134D+00 -0.124921D+00 -0.177104D+01 -0.168331D+01 -0.133419D+01
      4   0.338686D+01  0.102097D+01 -0.115102D+01  0.717238D+01 -0.280153D+01
      5  -0.189171D+01 -0.174201D+01  0.162009D+01  0.132880D+02 -0.133895D+01
      6  -0.750160D+00 -0.164646D+00  0.282776D+01 -0.593767D+01  0.521437D+01
               126           127           128           129           130 
      1   0.163380D+01  0.490236D+01 -0.169340D+01 -0.366277D+00 -0.265692D+01
      2  -0.836751D+01  0.138929D+01 -0.738520D+01 -0.122049D+01 -0.672958D+01
      3   0.673371D+01 -0.629165D+01  0.907860D+01  0.158676D+01  0.938651D+01
      4  -0.572275D+01 -0.998967D+01  0.122625D+02 -0.463932D+00  0.130827D+02
      5  -0.125742D+02  0.460118D+01 -0.355377D+01  0.452403D+01 -0.478942D+01
      6   0.678714D+01 -0.384424D+01  0.618784D+01 -0.148890D+01  0.580667D+01
               131           132           133           134           135 
      1  -0.627255D+01  0.269852D+01 -0.112888D+01  0.336081D+00 -0.597947D+00
      2   0.228905D+02  0.136253D+01 -0.933376D+00  0.400239D+01  0.132340D+01
      3  -0.166179D+02 -0.406105D+01  0.206225D+01 -0.433847D+01 -0.725455D+00
      4  -0.173196D+02  0.600019D+00  0.228563D+01 -0.248599D+01 -0.152121D+01
      5   0.546624D+01 -0.234591D+01  0.248572D+01 -0.905054D+00 -0.122494D+01
      6  -0.129222D+02  0.650800D+01 -0.497063D+00  0.320596D+01  0.107061D+01
               136           137           138           139           140 
      1  -0.179307D+01 -0.359206D+01  0.901508D+01 -0.241332D+01 -0.346778D+01
      2  -0.410238D+01  0.689597D+00  0.548746D+01 -0.368413D+00  0.250441D+01
      3   0.589545D+01  0.290246D+01 -0.145025D+02  0.278173D+01  0.963372D+00
      4   0.632051D+01  0.441364D+01 -0.384018D+01  0.436095D+01  0.723057D+00
      5  -0.124503D+02 -0.274969D+01  0.108259D+02 -0.200387D+01 -0.183383D+01
      6  -0.481888D+01 -0.687749D+01  0.887873D+01 -0.347340D+01 -0.583691D+01
               141           142           143           144           145 
      1   0.466996D+01  0.670523D+01  0.502140D+01 -0.136055D+02  0.973548D+01
      2  -0.980064D+00  0.253127D+01 -0.798960D+00 -0.930422D+01 -0.117821D+02
      3  -0.368990D+01 -0.923650D+01 -0.422244D+01  0.229098D+02  0.204657D+01
      4  -0.215705D+01 -0.352935D+01 -0.188448D+01  0.372668D+01  0.185815D+01
      5   0.282026D+01  0.101450D+02  0.306242D+01 -0.822195D+01  0.157157D+02
      6   0.767801D+01  0.578296D+01  0.810386D+01 -0.108395D+02  0.286001D+01
               146           147           148           149           150 
      1   0.291908D+01  0.241902D+01  0.444071D+01  0.624535D+00 -0.151590D+01
      2  -0.573920D+01 -0.951243D+01 -0.691179D+01 -0.120066D+01 -0.653385D+01
      3   0.282012D+01  0.709341D+01  0.247108D+01  0.576121D+00  0.804974D+01
      4   0.525034D+01  0.589505D+00  0.458498D+01  0.406336D+01  0.204646D+01
      5   0.525263D+01  0.140602D+02  0.889213D+01  0.583584D+01  0.885499D+01
      6   0.577467D+01  0.301818D+01  0.498841D+01  0.757600D+01  0.539528D+01
               151           152           153 
      1   0.264874D+01  0.277428D-02 -0.290977D+01
      2  -0.809951D+01 -0.419741D+01 -0.107287D+02
      3   0.545077D+01  0.419464D+01  0.136385D+02
      4   0.188049D+00  0.136573D+01  0.178799D+01
      5   0.122681D+02  0.549923D+01  0.113585D+02
      6   0.328669D+01  0.540111D+01  0.301698D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:58:47 2022, MaxMem=  5368709120 cpu:            3820.7 elap:             478.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.05305 -10.02352 -10.02352 -10.02352 -10.02346
 Alpha  occ. eigenvalues --   -0.92392  -0.78407  -0.78406  -0.78406  -0.63147
 Alpha  occ. eigenvalues --   -0.54776  -0.54776  -0.54776  -0.49475  -0.49475
 Alpha  occ. eigenvalues --   -0.45071  -0.45071  -0.45071  -0.40937  -0.40937
 Alpha  occ. eigenvalues --   -0.40936
 Alpha virt. eigenvalues --    0.03177   0.04618   0.04618   0.04618   0.06645
 Alpha virt. eigenvalues --    0.06645   0.06645   0.07079   0.07079   0.09351
 Alpha virt. eigenvalues --    0.09351   0.09351   0.10849   0.13564   0.13564
 Alpha virt. eigenvalues --    0.13564   0.15374   0.15962   0.15962   0.15962
 Alpha virt. eigenvalues --    0.18090   0.18090   0.18091   0.18169   0.18169
 Alpha virt. eigenvalues --    0.20259   0.20259   0.20259   0.21324   0.21325
 Alpha virt. eigenvalues --    0.21325   0.21643   0.24832   0.24832   0.28576
 Alpha virt. eigenvalues --    0.28576   0.28576   0.31695   0.31696   0.31696
 Alpha virt. eigenvalues --    0.33246   0.33246   0.33246   0.37528   0.37529
 Alpha virt. eigenvalues --    0.37529   0.38632   0.42116   0.42117   0.43754
 Alpha virt. eigenvalues --    0.43755   0.43756   0.44245   0.44245   0.44246
 Alpha virt. eigenvalues --    0.45004   0.45679   0.45679   0.45679   0.50603
 Alpha virt. eigenvalues --    0.50604   0.51514   0.53109   0.53109   0.53109
 Alpha virt. eigenvalues --    0.53654   0.53655   0.53655   0.54705   0.54705
 Alpha virt. eigenvalues --    0.59389   0.59887   0.59887   0.59888   0.62070
 Alpha virt. eigenvalues --    0.62071   0.62071   0.66333   0.66334   0.66334
 Alpha virt. eigenvalues --    0.66635   0.66636   0.66637   0.68358   0.69032
 Alpha virt. eigenvalues --    0.71057   0.71059   0.71059   0.75209   0.75209
 Alpha virt. eigenvalues --    0.75209   0.77509   0.77510   0.84548   0.84549
 Alpha virt. eigenvalues --    0.84549   0.84666   0.84667   0.84671   0.84672
 Alpha virt. eigenvalues --    0.84673   0.87491   0.87491   0.87491   0.91501
 Alpha virt. eigenvalues --    0.91502   0.91503   0.95325   0.98248   0.98249
 Alpha virt. eigenvalues --    0.98249   0.99474   0.99475   1.10848   1.10852
 Alpha virt. eigenvalues --    1.12968   1.12969   1.12970   1.21612   1.23376
 Alpha virt. eigenvalues --    1.23378   1.23378   1.26620   1.26621   1.26621
 Alpha virt. eigenvalues --    1.41801   1.41802   1.41803   1.47419   1.47420
 Alpha virt. eigenvalues --    1.47420   1.55259   1.55259   1.55261   1.62856
 Alpha virt. eigenvalues --    1.62857   1.64400   1.65478   1.65480   1.65481
 Alpha virt. eigenvalues --    1.68723   1.68727   1.75916   1.83652   1.83655
 Alpha virt. eigenvalues --    1.83655   1.88302   1.88302   1.88303   1.89572
 Alpha virt. eigenvalues --    1.89574   1.90944   1.90947   1.90949   1.98997
 Alpha virt. eigenvalues --    1.98997   1.98999   2.09460   2.09461   2.09462
 Alpha virt. eigenvalues --    2.09706   2.11997   2.12000   2.12000   2.15292
 Alpha virt. eigenvalues --    2.15294   2.18148   2.18153   2.18155   2.31684
 Alpha virt. eigenvalues --    2.31685   2.31687   2.33171   2.33175   2.38199
 Alpha virt. eigenvalues --    2.41261   2.41263   2.41264   2.43463   2.43465
 Alpha virt. eigenvalues --    2.43466   2.53413   2.53414   2.62904   2.62920
 Alpha virt. eigenvalues --    2.62922   2.62923   2.69014   2.69015   2.69016
 Alpha virt. eigenvalues --    2.76426   2.76429   2.76430   2.84666   2.84666
 Alpha virt. eigenvalues --    2.84667   3.00053   3.08520   3.08525   3.28667
 Alpha virt. eigenvalues --    3.28672   3.28675
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.994317  -0.492500  -0.492526  -0.492521  -0.492454   0.099209
     2  C   -0.492500   4.909084  -0.098607  -0.098616  -0.098465   0.098677
     3  C   -0.492526  -0.098607   4.909059  -0.098560  -0.098502   0.012995
     4  C   -0.492521  -0.098616  -0.098560   4.909158  -0.098554   0.013058
     5  C   -0.492454  -0.098465  -0.098502  -0.098554   4.908800  -0.028056
     6  H    0.099209   0.098677   0.012995   0.013058  -0.028056   2.107725
     7  H    0.099708   0.098337   0.012979  -0.028109   0.012942  -0.528147
     8  H    0.099806   0.098378  -0.028102   0.012920   0.012966  -0.528151
     9  H    0.099546   0.012534   0.098512   0.013426  -0.028072  -0.072481
    10  H    0.099678  -0.028089   0.098441   0.012538   0.013359   0.022963
    11  H    0.099520   0.013412   0.098428  -0.028096   0.012570   0.007994
    12  H    0.099886   0.013035   0.012876   0.098236  -0.028094  -0.072511
    13  H    0.099336   0.012921  -0.028088   0.098557   0.013095   0.007970
    14  H    0.099502  -0.028090   0.013078   0.098538   0.012879   0.022982
    15  H    0.099410   0.012796   0.013134  -0.028057   0.098616   0.022979
    16  H    0.099723  -0.028087   0.012771   0.013129   0.098359  -0.031621
    17  H    0.099746   0.013136  -0.028070   0.012744   0.098398   0.022988
               7          8          9         10         11         12
     1  C    0.099708   0.099806   0.099546   0.099678   0.099520   0.099886
     2  C    0.098337   0.098378   0.012534  -0.028089   0.013412   0.013035
     3  C    0.012979  -0.028102   0.098512   0.098441   0.098428   0.012876
     4  C   -0.028109   0.012920   0.013426   0.012538  -0.028096   0.098236
     5  C    0.012942   0.012966  -0.028072   0.013359   0.012570  -0.028094
     6  H   -0.528147  -0.528151  -0.072481   0.022963   0.007994  -0.072511
     7  H    2.107468  -0.528003   0.007942   0.022986  -0.072519   0.022977
     8  H   -0.528003   2.107384   0.022969  -0.031618   0.022979   0.007970
     9  H    0.007942   0.022969   2.107614  -0.528120  -0.528164  -0.072526
    10  H    0.022986  -0.031618  -0.528120   2.107554  -0.528068   0.007926
    11  H   -0.072519   0.022979  -0.528164  -0.528068   2.107573   0.022994
    12  H    0.022977   0.007970  -0.072526   0.007926   0.022994   2.107364
    13  H    0.022969  -0.072498   0.022982   0.022973  -0.031620  -0.528149
    14  H   -0.031618   0.022971   0.007992  -0.072490   0.022964  -0.528094
    15  H   -0.072510   0.007936   0.022969   0.007992  -0.072506  -0.031621
    16  H    0.022980   0.022988   0.022992  -0.072533   0.007913   0.022976
    17  H    0.007952  -0.072524  -0.031621   0.022982   0.022987   0.022976
              13         14         15         16         17
     1  C    0.099336   0.099502   0.099410   0.099723   0.099746
     2  C    0.012921  -0.028090   0.012796  -0.028087   0.013136
     3  C   -0.028088   0.013078   0.013134   0.012771  -0.028070
     4  C    0.098557   0.098538  -0.028057   0.013129   0.012744
     5  C    0.013095   0.012879   0.098616   0.098359   0.098398
     6  H    0.007970   0.022982   0.022979  -0.031621   0.022988
     7  H    0.022969  -0.031618  -0.072510   0.022980   0.007952
     8  H   -0.072498   0.022971   0.007936   0.022988  -0.072524
     9  H    0.022982   0.007992   0.022969   0.022992  -0.031621
    10  H    0.022973  -0.072490   0.007992  -0.072533   0.022982
    11  H   -0.031620   0.022964  -0.072506   0.007913   0.022987
    12  H   -0.528149  -0.528094  -0.031621   0.022976   0.022976
    13  H    2.107744  -0.528111   0.022983   0.007979  -0.072523
    14  H   -0.528111   2.107588   0.022989  -0.072528   0.007945
    15  H    0.022983   0.022989   2.107912  -0.528172  -0.528152
    16  H    0.007979  -0.072528  -0.528172   2.107692  -0.528186
    17  H   -0.072523   0.007945  -0.528152  -0.528186   2.107675
 Mulliken charges:
               1
     1  C   -4.219385
     2  C    1.590145
     3  C    1.590184
     4  C    1.590208
     5  C    1.590214
     6  H   -0.178574
     7  H   -0.178332
     8  H   -0.178372
     9  H   -0.178493
    10  H   -0.178472
    11  H   -0.178361
    12  H   -0.178220
    13  H   -0.178519
    14  H   -0.178498
    15  H   -0.178699
    16  H   -0.178377
    17  H   -0.178450
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.219385
     2  C    1.054868
     3  C    1.054859
     4  C    1.054971
     5  C    1.054688
 Electronic spatial extent (au):  <R**2>=            484.5959
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.7329   YY=            -35.7328   ZZ=            -35.7328
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.4119  YYY=             -1.1499  ZZZ=             -0.9298  XYY=              1.8514
  XXY=              0.0198  XXZ=              1.4823  XZZ=             -1.4395  YZZ=              1.1298
  YYZ=             -0.5525  XYZ=              1.9842
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -236.4849 YYYY=           -235.3822 ZZZZ=           -235.7172 XXXY=              1.2025
 XXXZ=             -1.0964 YYYX=             -1.2916 YYYZ=              1.4927 ZZZX=              0.5864
 ZZZY=             -1.8365 XXYY=            -77.3744 XXZZ=            -77.0325 YYZZ=            -78.1190
 XXYZ=              0.3433 YYXZ=              0.5105 ZZXY=              0.0890
 N-N= 1.985943013625D+02 E-N=-8.532831476693D+02  KE= 1.958810697485D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:58:48 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290710D-06-2.40208701D-06-2.94381935D-06
 Polarizability= 6.33545600D+01 1.19950012D-04 6.33541331D+01
                 3.32805351D-04-2.65587196D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0003   -0.0001       -0.0003   -0.0003
 2      0.0003    0.0001        0.0004    0.0003        0.0003   -0.0004
 3      0.0003    0.0003        0.0002    0.0002       -0.0003   -0.0003
 4     -0.0004   -0.0003       -0.0000    0.0000        0.0002    0.0003
 5     -0.0006    0.0002       -0.0002   -0.0003       -0.0003   -0.0001
 6      0.0003    0.0003        0.0003    0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0004    0.0004       -0.0008   -0.0008
 2     -0.0010   -0.0010       -0.0000    0.0000       -0.0008   -0.0008
 3     -0.0010   -0.0010        0.0004    0.0004        0.0000    0.0000
 4      0.0004    0.0004        0.0010    0.0010       -0.0013   -0.0013
 5      0.0008    0.0008        0.0007    0.0007       -0.0010   -0.0010
 6      0.0006    0.0006       -0.0008   -0.0008       -0.0004   -0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0009    0.0000       -0.0002    0.0005       -0.0048    0.0010
 2     -0.0055   -0.0005       -0.0030   -0.0014       -0.0130    0.0017
 3      0.0172   -0.0010       -0.0108   -0.0009       -0.0076    0.0014
 4      0.0006    0.0014        0.0028    0.0000       -0.0093   -0.0010
 5     -0.0136   -0.0008        0.0113    0.0010       -0.0034    0.0005
 6      0.0017   -0.0014        0.0120   -0.0005       -0.0039    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0063    0.0000       -0.0024   -0.0008       -0.0086    0.0006
 2     -0.0059    0.0008       -0.0025    0.0017        0.0145    0.0005
 3      0.0055   -0.0006        0.0138   -0.0035        0.0113   -0.0017
 4      0.0100   -0.0017       -0.0048    0.0000        0.0008   -0.0006
 5      0.0115    0.0029       -0.0061    0.0006        0.0184   -0.0008
 6     -0.0014    0.0017        0.0081    0.0008        0.0137    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.8193    2.8201        0.9657    0.9536        1.7517    1.7382
 2      2.8172    2.8179        0.9626    0.9553        1.7454    1.7382
 3      2.8216    2.8179        0.9612    0.9536        1.7443    1.7393
 4     -0.0248   -0.0017        0.0009    0.0022        0.0289    0.0005
 5     -0.0121    0.0012        0.0010    0.0005       -0.0179   -0.0022
 6      0.0018   -0.0010       -0.0242   -0.0012        0.0080    0.0017
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0041   -5.0059   -2.2749   -0.0008   -0.0005   -0.0005
 Low frequencies ---  161.8860  206.5480  230.3120
 Diagonal vibrational polarizability:
        0.7232526       0.7231504       0.7231783
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.8849               206.5478               230.3118
 Red. masses --      1.6872                 1.8150                 1.4621
 Frc consts  --      0.0261                 0.0456                 0.0457
 IR Inten    --      0.0001                 0.0001                 0.0001
 RamAct Fr= 1--      0.0000                 0.0018                 0.0178
  Dep-P Fr= 1--      0.7488                 0.7490                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8565                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0003                 0.0025
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0002                 0.0010                 0.0007
 Delta2 Fr= 1--      0.0005                -0.0020                 0.0002
 Raman1 Fr= 1--       0.000                  0.007                  0.071
 ROA1   Fr= 1--      -0.006                  0.035                  0.072
 CID1   Fr= 1--     -36.145                  5.014                  1.015
 Raman2 Fr= 1--       0.000                  0.003                  0.031
 ROA2   Fr= 1--      -0.010                  0.041                  0.014
 CID2   Fr= 1--    -132.656                 13.489                  0.463
 Raman3 Fr= 1--       0.000                  0.006                  0.061
 ROA3   Fr= 1--      -0.006                  0.035                  0.072
 CID3   Fr= 1--     -42.208                  5.855                  1.184
 RC180  Fr= 1--       0.713                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.00  -0.01  -0.01    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.01  -0.05  -0.01     0.01   0.00   0.01
     3   6    -0.01  -0.00   0.00    -0.02   0.01   0.00     0.01  -0.03   0.02
     4   6     0.01  -0.01   0.01     0.03   0.01  -0.02    -0.01   0.00  -0.05
     5   6     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.01   0.02   0.01
     6   1     0.00   0.22   0.10     0.04   0.05   0.03     0.07   0.47   0.23
     7   1    -0.16  -0.02  -0.21    -0.08  -0.08  -0.08    -0.28  -0.04  -0.38
     8   1     0.11  -0.19   0.06     0.09  -0.15   0.03     0.24  -0.38   0.20
     9   1     0.27  -0.15  -0.20    -0.27   0.15   0.19    -0.09  -0.02   0.07
    10   1    -0.20   0.31  -0.13     0.15  -0.23   0.13     0.08  -0.12   0.07
    11   1    -0.12  -0.16   0.34     0.03   0.13  -0.30     0.06   0.01  -0.06
    12   1    -0.17  -0.10   0.04    -0.02  -0.03  -0.02    -0.11  -0.09  -0.06
    13   1     0.06   0.06  -0.16     0.07   0.03  -0.09     0.01   0.07  -0.17
    14   1     0.14   0.01   0.18     0.07   0.05   0.04     0.06   0.04   0.05
    15   1     0.26   0.13  -0.05     0.36   0.22  -0.01    -0.19  -0.10   0.05
    16   1    -0.01  -0.27  -0.13    -0.08  -0.37  -0.19    -0.00   0.21   0.09
    17   1    -0.20   0.10   0.14    -0.36   0.18   0.25     0.14  -0.06  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.9136               302.0783               302.6921
 Red. masses --      1.0700                 2.5435                 2.4688
 Frc consts  --      0.0442                 0.1367                 0.1333
 IR Inten    --      0.0000                 0.0013                 0.0020
 RamAct Fr= 1--      0.0049                 0.9250                 0.9058
  Dep-P Fr= 1--      0.7496                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0007                 0.1321                 0.1294
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0014                -0.0098                 0.0010
 Delta2 Fr= 1--      0.0039                -0.0064                -0.0045
 Raman1 Fr= 1--       0.020                  3.700                  3.623
 ROA1   Fr= 1--      -0.009                 -1.142                 -0.048
 CID1   Fr= 1--      -0.450                 -0.309                 -0.013
 Raman2 Fr= 1--       0.008                  1.586                  1.553
 ROA2   Fr= 1--      -0.065                 -0.183                  0.060
 CID2   Fr= 1--      -7.752                 -0.116                  0.039
 Raman3 Fr= 1--       0.017                  3.171                  3.106
 ROA3   Fr= 1--      -0.009                 -1.142                 -0.048
 CID3   Fr= 1--      -0.525                 -0.360                 -0.015
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.02   0.02
     2   6    -0.01  -0.00  -0.02     0.07  -0.11   0.07    -0.10  -0.09  -0.11
     3   6    -0.01  -0.01   0.02    -0.08   0.09  -0.06     0.07   0.00  -0.12
     4   6     0.00  -0.00  -0.01    -0.14  -0.10   0.00     0.05  -0.02   0.14
     5   6     0.02   0.01  -0.01     0.14   0.09   0.00    -0.03   0.10   0.10
     6   1    -0.01   0.13   0.05     0.23  -0.06   0.04    -0.23  -0.05  -0.04
     7   1    -0.09  -0.01  -0.13    -0.02  -0.18   0.12    -0.26  -0.15  -0.23
     8   1     0.06  -0.11   0.03     0.12  -0.22   0.15     0.07  -0.18  -0.24
     9   1    -0.00  -0.05   0.00    -0.01   0.27  -0.00     0.21   0.09  -0.14
    10   1    -0.01   0.03   0.04    -0.14   0.17  -0.10    -0.02  -0.12  -0.29
    11   1    -0.03  -0.04   0.07    -0.24   0.05  -0.18     0.17   0.07  -0.17
    12   1     0.48   0.28  -0.07    -0.18  -0.15   0.00     0.04   0.11   0.22
    13   1    -0.13  -0.22   0.47    -0.26  -0.02   0.06     0.11  -0.12   0.21
    14   1    -0.33  -0.05  -0.44    -0.14  -0.25  -0.04     0.08  -0.06   0.16
    15   1     0.07   0.04  -0.01     0.18   0.10   0.04    -0.05   0.04   0.30
    16   1     0.02  -0.05  -0.02     0.27   0.13   0.17    -0.06   0.26   0.12
    17   1    -0.03   0.04   0.01     0.19   0.20  -0.21    -0.04   0.19   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    374.2099               381.7142               390.4038
 Red. masses --      2.5028                 2.3987                 2.2782
 Frc consts  --      0.2065                 0.2059                 0.2046
 IR Inten    --      0.0417                 0.0450                 0.0519
 RamAct Fr= 1--      0.1810                 0.2085                 0.2591
  Dep-P Fr= 1--      0.7415                 0.7313                 0.7386
  Dep-U Fr= 1--      0.8516                 0.8448                 0.8496
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0257                 0.0294                 0.0367
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0110                 0.0090                -0.0038
 Delta2 Fr= 1--     -0.0002                 0.0040                 0.0104
 Raman1 Fr= 1--       0.724                  0.834                  1.036
 ROA1   Fr= 1--       1.051                  0.994                 -0.029
 CID1   Fr= 1--       1.452                  1.192                 -0.028
 Raman2 Fr= 1--       0.308                  0.352                  0.440
 ROA2   Fr= 1--       0.266                  0.184                 -0.174
 CID2   Fr= 1--       0.862                  0.521                 -0.396
 Raman3 Fr= 1--       0.617                  0.704                  0.881
 ROA3   Fr= 1--       1.051                  0.994                 -0.029
 CID3   Fr= 1--       1.705                  1.411                 -0.033
 RC180  Fr= 1--       0.703                  0.690                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.11   0.01    -0.02   0.02   0.14    -0.10  -0.10   0.01
     2   6    -0.01   0.12  -0.06    -0.12  -0.05   0.03    -0.06   0.06   0.13
     3   6    -0.03   0.05   0.01     0.06   0.06  -0.00    -0.09  -0.10  -0.08
     4   6     0.05  -0.13  -0.11    -0.05   0.09  -0.12     0.14   0.04  -0.03
     5   6    -0.00  -0.03   0.12     0.09  -0.10   0.06     0.06   0.03   0.00
     6   1    -0.27   0.13   0.04    -0.27  -0.07   0.09    -0.02   0.08   0.13
     7   1     0.17   0.28  -0.22    -0.22  -0.09  -0.04     0.14   0.18   0.14
     8   1    -0.12   0.27  -0.10    -0.01  -0.07  -0.11    -0.25   0.15   0.28
     9   1    -0.00   0.25   0.09     0.22   0.19  -0.01    -0.03  -0.06  -0.09
    10   1    -0.05   0.22   0.04    -0.04  -0.06  -0.18    -0.14  -0.16  -0.17
    11   1    -0.29  -0.04  -0.13     0.15   0.13  -0.08    -0.06  -0.07  -0.11
    12   1     0.08  -0.24  -0.19     0.09  -0.12  -0.31     0.24   0.09  -0.05
    13   1    -0.02  -0.04  -0.14    -0.12   0.21  -0.20     0.36  -0.11  -0.13
    14   1     0.01  -0.11  -0.15    -0.16   0.26  -0.21     0.12   0.33   0.04
    15   1    -0.02  -0.10   0.35     0.10  -0.03  -0.19     0.14   0.07   0.04
    16   1    -0.11   0.11   0.05     0.18  -0.26   0.11     0.20   0.04   0.17
    17   1    -0.06   0.01   0.16     0.15  -0.19   0.09     0.07   0.19  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    679.2738               752.7266               767.7135
 Red. masses --      3.3259                 2.4770                 2.5004
 Frc consts  --      0.9042                 0.8269                 0.8683
 IR Inten    --      0.0293                 0.1214                 0.2257
 RamAct Fr= 1--     13.5705                 0.9378                 1.7409
  Dep-P Fr= 1--      0.0029                 0.5045                 0.4609
  Dep-U Fr= 1--      0.0057                 0.6707                 0.6310
 Alpha2 Fr= 1--      0.2995                 0.0045                 0.0102
 Beta2  Fr= 1--      0.0130                 0.1048                 0.1831
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0386                -0.1890                 0.0500
 Delta2 Fr= 1--     -0.0397                -0.2131                 0.0541
 Raman1 Fr= 1--      54.282                  3.751                  6.964
 ROA1   Fr= 1--      -4.979                -24.964                  6.530
 CID1   Fr= 1--      -0.092                 -6.655                  0.938
 Raman2 Fr= 1--       0.156                  1.258                  2.197
 ROA2   Fr= 1--      -0.610                 -2.832                  0.766
 CID2   Fr= 1--      -3.914                 -2.251                  0.349
 Raman3 Fr= 1--       0.312                  2.516                  4.394
 ROA3   Fr= 1--      -4.979                -24.964                  6.530
 CID3   Fr= 1--     -15.972                 -9.923                  1.486
 RC180  Fr= 1--      -0.989                  0.341                  0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04   0.00    -0.00   0.00  -0.03    -0.06  -0.02   0.00
     2   6     0.10   0.06  -0.14    -0.01  -0.01   0.03    -0.03   0.03  -0.09
     3   6    -0.13  -0.11  -0.07    -0.00   0.12  -0.10    -0.07   0.09   0.14
     4   6    -0.09   0.16   0.05    -0.03   0.05   0.01     0.04  -0.09  -0.02
     5   6     0.12  -0.07   0.16     0.02  -0.16   0.01     0.00  -0.05  -0.03
     6   1     0.32   0.07  -0.24    -0.11  -0.05   0.05     0.40   0.12  -0.22
     7   1     0.08   0.02  -0.06    -0.06  -0.03   0.00     0.10   0.06   0.06
     8   1     0.13   0.01  -0.10     0.03  -0.00  -0.04    -0.15  -0.01   0.16
     9   1    -0.14  -0.17  -0.11    -0.31  -0.32  -0.20     0.21   0.12   0.04
    10   1    -0.21  -0.21  -0.20     0.23   0.13   0.19    -0.23  -0.26  -0.18
    11   1    -0.15  -0.11  -0.11     0.19   0.13   0.21     0.41   0.34   0.20
    12   1    -0.08   0.15   0.04    -0.01  -0.06  -0.06     0.08  -0.18  -0.09
    13   1    -0.11   0.18   0.05    -0.10   0.14  -0.02     0.00  -0.04  -0.05
    14   1    -0.10   0.17   0.03    -0.06   0.05  -0.03    -0.01  -0.05  -0.07
    15   1     0.08  -0.12   0.24     0.23  -0.17   0.46     0.04  -0.09   0.19
    16   1     0.06  -0.08   0.10     0.09   0.02   0.15    -0.03   0.05  -0.03
    17   1     0.13  -0.22   0.36    -0.08   0.18  -0.27    -0.08   0.07  -0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    805.6882               827.3217               873.5179
 Red. masses --      2.6097                 2.4535                 2.3169
 Frc consts  --      0.9981                 0.9894                 1.0416
 IR Inten    --      0.2700                 0.2336                 0.4078
 RamAct Fr= 1--      2.3654                 3.4779                 2.6957
  Dep-P Fr= 1--      0.7226                 0.3635                 0.5771
  Dep-U Fr= 1--      0.8390                 0.5331                 0.7319
 Alpha2 Fr= 1--      0.0011                 0.0292                 0.0088
 Beta2  Fr= 1--      0.3307                 0.3090                 0.3288
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.2261                 0.2171                -0.0180
 Delta2 Fr= 1--      0.2591                 0.2446                 0.0391
 Raman1 Fr= 1--       9.461                 13.912                 10.783
 ROA1   Fr= 1--      29.995                 28.665                 -0.478
 CID1   Fr= 1--       3.170                  2.061                 -0.044
 Raman2 Fr= 1--       3.969                  3.708                  3.946
 ROA2   Fr= 1--       3.353                  3.252                 -0.745
 CID2   Fr= 1--       0.845                  0.877                 -0.189
 Raman3 Fr= 1--       7.938                  7.417                  7.892
 ROA3   Fr= 1--      29.995                 28.665                 -0.478
 CID3   Fr= 1--       3.779                  3.865                 -0.061
 RC180  Fr= 1--       0.678                  0.066                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.05  -0.04   0.07    -0.10  -0.03   0.04
     2   6    -0.05   0.01  -0.04     0.21  -0.02  -0.04     0.04   0.06  -0.10
     3   6     0.14  -0.08   0.06    -0.06  -0.03   0.07     0.05   0.03  -0.03
     4   6    -0.10   0.12   0.04    -0.03   0.08   0.04    -0.01  -0.07  -0.01
     5   6    -0.01  -0.09  -0.08    -0.10  -0.05  -0.04    -0.12  -0.04   0.18
     6   1     0.23   0.03  -0.14    -0.33  -0.02   0.18     0.21   0.03  -0.19
     7   1    -0.04  -0.02   0.07     0.28   0.12  -0.31    -0.00   0.02  -0.08
     8   1    -0.05  -0.06   0.07     0.17   0.16  -0.23     0.12   0.01  -0.14
     9   1     0.29   0.35   0.22     0.09   0.05   0.05    -0.04   0.01   0.00
    10   1     0.10   0.19   0.10    -0.20  -0.23  -0.17     0.15   0.16   0.13
    11   1    -0.21  -0.20  -0.16     0.01   0.02   0.00     0.01  -0.01   0.03
    12   1     0.02   0.16   0.01    -0.06  -0.04  -0.01     0.08   0.03   0.00
    13   1     0.07   0.02  -0.04    -0.18   0.23   0.06     0.21  -0.23  -0.08
    14   1    -0.12   0.36   0.08    -0.06  -0.00  -0.02    -0.00   0.17   0.07
    15   1     0.08  -0.15   0.29     0.04   0.05  -0.09     0.05   0.20  -0.34
    16   1    -0.04   0.07  -0.06     0.04  -0.04   0.12     0.22  -0.27   0.48
    17   1    -0.14   0.16  -0.24    -0.10   0.22  -0.39     0.10   0.05  -0.24
                     16                     17                     18
                      A                      A                      A
 Frequencies --    920.8084               994.6243              1007.4653
 Red. masses --      1.6302                 1.6512                 1.7486
 Frc consts  --      0.8144                 0.9624                 1.0457
 IR Inten    --      0.4245                 0.0798                 0.1197
 RamAct Fr= 1--      2.5702                 1.4082                 2.1159
  Dep-P Fr= 1--      0.6606                 0.7253                 0.7269
  Dep-U Fr= 1--      0.7956                 0.8408                 0.8419
 Alpha2 Fr= 1--      0.0041                 0.0006                 0.0008
 Beta2  Fr= 1--      0.3408                 0.1973                 0.2969
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.3988                -0.0120                 0.1353
 Delta2 Fr= 1--     -0.4928                -0.0573                -0.0043
 Raman1 Fr= 1--      10.281                  5.633                  8.464
 ROA1   Fr= 1--     -54.051                 -2.981                 12.849
 CID1   Fr= 1--      -5.258                 -0.529                  1.518
 Raman2 Fr= 1--       4.090                  2.368                  3.563
 ROA2   Fr= 1--      -5.628                  0.172                  3.281
 CID2   Fr= 1--      -1.376                  0.072                  0.921
 Raman3 Fr= 1--       8.180                  4.736                  7.125
 ROA3   Fr= 1--     -54.051                 -2.981                 12.849
 CID3   Fr= 1--      -6.608                 -0.629                  1.803
 RC180  Fr= 1--       0.591                  0.682                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.11     0.07   0.01   0.03    -0.01  -0.10   0.06
     2   6     0.00  -0.11  -0.03    -0.11  -0.04  -0.03     0.02  -0.09  -0.07
     3   6     0.01   0.03   0.02     0.03  -0.01  -0.02    -0.00   0.03  -0.05
     4   6    -0.04   0.08  -0.06     0.10   0.06   0.03    -0.05  -0.01   0.12
     5   6     0.01  -0.01   0.06    -0.05  -0.02   0.05     0.04   0.08  -0.04
     6   1    -0.10   0.12   0.14     0.20   0.12  -0.07     0.04   0.12   0.04
     7   1     0.41   0.17  -0.15     0.12   0.07   0.06     0.36   0.13  -0.13
     8   1    -0.36   0.10   0.24    -0.29   0.00   0.19    -0.24   0.07   0.12
     9   1     0.09   0.09   0.02    -0.01  -0.08  -0.04    -0.05  -0.05  -0.08
    10   1     0.05   0.06   0.07     0.04  -0.02  -0.01     0.12   0.08   0.11
    11   1     0.14   0.09   0.05    -0.14  -0.08  -0.09     0.06   0.04   0.05
    12   1    -0.26   0.41   0.23    -0.10  -0.25  -0.06     0.26  -0.31  -0.20
    13   1     0.03  -0.13   0.13    -0.39   0.46   0.15     0.00   0.14  -0.15
    14   1     0.13  -0.20   0.08     0.04  -0.39  -0.18    -0.26   0.47   0.00
    15   1     0.05   0.03   0.00     0.00   0.06  -0.14    -0.16  -0.00  -0.13
    16   1     0.07  -0.09   0.10    -0.00  -0.04   0.09    -0.05   0.07  -0.14
    17   1     0.09  -0.10   0.08    -0.01   0.08  -0.15    -0.05   0.02   0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.4919              1078.4669              1084.3734
 Red. masses --      2.1991                 2.1791                 2.2789
 Frc consts  --      1.5015                 1.4933                 1.5788
 IR Inten    --      2.9359                 3.6968                 4.7134
 RamAct Fr= 1--      1.3637                 1.5424                 0.9421
  Dep-P Fr= 1--      0.7342                 0.7472                 0.7340
  Dep-U Fr= 1--      0.8467                 0.8553                 0.8466
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0003
 Beta2  Fr= 1--      0.1925                 0.2199                 0.1329
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1326                -0.0341                -0.2294
 Delta2 Fr= 1--      0.0448                 0.0664                -0.0156
 Raman1 Fr= 1--       5.455                  6.170                  3.768
 ROA1   Fr= 1--      14.160                 -1.151                -22.526
 CID1   Fr= 1--       2.596                 -0.187                 -5.977
 Raman2 Fr= 1--       2.309                  2.638                  1.595
 ROA2   Fr= 1--       2.823                 -1.350                 -5.382
 CID2   Fr= 1--       1.222                 -0.512                 -3.374
 Raman3 Fr= 1--       4.619                  5.277                  3.190
 ROA3   Fr= 1--      14.160                 -1.151                -22.526
 CID3   Fr= 1--       3.066                 -0.218                 -7.061
 RC180  Fr= 1--       0.693                  0.711                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.03
     2   6    -0.00  -0.01  -0.00     0.00   0.01   0.01    -0.01  -0.01  -0.01
     3   6     0.02   0.01  -0.12    -0.10   0.09  -0.00     0.08   0.08  -0.02
     4   6     0.02   0.00   0.02    -0.01  -0.00  -0.01    -0.02   0.00  -0.05
     5   6    -0.07   0.03  -0.03     0.01  -0.00   0.00     0.12  -0.05   0.05
     6   1     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.03   0.02  -0.01
     7   1     0.00   0.00  -0.01    -0.05  -0.02   0.01     0.02   0.01  -0.00
     8   1    -0.02   0.01   0.01     0.05  -0.00  -0.04    -0.03   0.00   0.02
     9   1    -0.16   0.43   0.18     0.52  -0.02  -0.33    -0.23   0.05   0.10
    10   1     0.12  -0.29  -0.09     0.36  -0.48   0.36     0.01  -0.23  -0.22
    11   1    -0.07  -0.25   0.59    -0.32  -0.04   0.01    -0.18  -0.15   0.28
    12   1     0.03  -0.09  -0.04    -0.02   0.05   0.02    -0.08   0.22   0.10
    13   1    -0.05   0.08  -0.01     0.03  -0.05  -0.00     0.08  -0.14   0.02
    14   1    -0.03  -0.00  -0.04     0.01  -0.00   0.01     0.08  -0.06   0.06
    15   1     0.22   0.14   0.14    -0.02  -0.01  -0.02    -0.38  -0.25  -0.24
    16   1    -0.03   0.01  -0.00     0.02   0.01   0.02     0.04   0.00  -0.02
    17   1     0.18  -0.25  -0.01    -0.02   0.02   0.02    -0.31   0.43   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1099.4280              1200.9258              1231.7213
 Red. masses --      2.5558                 3.1951                 2.5947
 Frc consts  --      1.8202                 2.7150                 2.3193
 IR Inten    --      0.8062                 3.1554                 7.7793
 RamAct Fr= 1--      1.3319                 8.2431                 7.5262
  Dep-P Fr= 1--      0.0741                 0.7491                 0.7392
  Dep-U Fr= 1--      0.1380                 0.8565                 0.8500
 Alpha2 Fr= 1--      0.0248                 0.0001                 0.0014
 Beta2  Fr= 1--      0.0306                 1.1767                 1.0662
 AlphaG Fr= 1--     -0.0002                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.0202                 0.9594                -1.1118
 Delta2 Fr= 1--      0.0891                 0.4143                -0.4051
 Raman1 Fr= 1--       5.328                 32.973                 30.105
 ROA1   Fr= 1--       4.787                105.362               -119.700
 CID1   Fr= 1--       0.899                  3.195                 -3.976
 Raman2 Fr= 1--       0.368                 14.121                 12.795
 ROA2   Fr= 1--      -0.229                 19.711                -23.443
 CID2   Fr= 1--      -0.624                  1.396                 -1.832
 Raman3 Fr= 1--       0.735                 28.242                 25.590
 ROA3   Fr= 1--       4.787                105.362               -119.700
 CID3   Fr= 1--       6.513                  3.731                 -4.678
 RC180  Fr= 1--      -0.724                  0.713                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01     0.26  -0.24  -0.05     0.17   0.16   0.16
     2   6     0.01   0.05   0.03    -0.09   0.08   0.07    -0.06  -0.10  -0.03
     3   6    -0.15  -0.16  -0.12    -0.05   0.04   0.01    -0.09  -0.08  -0.07
     4   6     0.06   0.04   0.00    -0.09   0.07  -0.00    -0.07  -0.05  -0.06
     5   6     0.07  -0.01   0.03    -0.03   0.01   0.07    -0.02  -0.05   0.00
     6   1    -0.00  -0.08  -0.04     0.11  -0.22  -0.17     0.14   0.31   0.12
     7   1    -0.13  -0.02  -0.02    -0.23   0.05  -0.14     0.21  -0.02   0.27
     8   1     0.17  -0.03  -0.10     0.14  -0.21   0.12    -0.15   0.23  -0.31
     9   1     0.16   0.40   0.03    -0.07  -0.05  -0.03     0.01   0.07  -0.05
    10   1     0.09   0.23   0.33    -0.07  -0.04  -0.05    -0.01   0.04   0.09
    11   1     0.41   0.05   0.16     0.14   0.12   0.09     0.10  -0.01   0.02
    12   1    -0.09  -0.05   0.02    -0.04   0.27   0.09     0.06   0.24   0.06
    13   1    -0.20   0.22   0.09     0.02  -0.03   0.00     0.20  -0.31  -0.04
    14   1     0.04  -0.19  -0.08    -0.03   0.22   0.12     0.09   0.12   0.18
    15   1    -0.21  -0.12  -0.14     0.06   0.16  -0.24     0.10   0.02  -0.01
    16   1     0.07  -0.02   0.04    -0.37   0.16  -0.30    -0.24   0.15  -0.20
    17   1    -0.15   0.19   0.08     0.13   0.00  -0.14     0.02   0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1237.0970              1320.0184              1321.8164
 Red. masses --      3.0262                 1.3547                 1.3648
 Frc consts  --      2.7287                 1.3908                 1.4049
 IR Inten    --      2.0389                 5.5233                 6.4562
 RamAct Fr= 1--      7.6120                 3.0678                 3.4863
  Dep-P Fr= 1--      0.7304                 0.7462                 0.7405
  Dep-U Fr= 1--      0.8442                 0.8546                 0.8509
 Alpha2 Fr= 1--      0.0026                 0.0002                 0.0006
 Beta2  Fr= 1--      1.0710                 0.4370                 0.4944
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.1611                -0.6564                 0.6605
 Delta2 Fr= 1--      0.0743                -0.7262                 0.6482
 Raman1 Fr= 1--      30.448                 12.271                 13.945
 ROA1   Fr= 1--      17.847                -86.253                 84.152
 CID1   Fr= 1--       0.586                 -7.029                  6.035
 Raman2 Fr= 1--      12.852                  5.244                  5.933
 ROA2   Fr= 1--       3.272                 -9.943                 10.667
 CID2   Fr= 1--       0.255                 -1.896                  1.798
 Raman3 Fr= 1--      25.704                 10.487                 11.866
 ROA3   Fr= 1--      17.847                -86.253                 84.152
 CID3   Fr= 1--       0.694                 -8.224                  7.092
 RC180  Fr= 1--       0.688                  0.709                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.16   0.30     0.04  -0.07   0.03     0.05   0.01   0.07
     2   6    -0.01   0.02   0.01     0.03   0.03  -0.09     0.03   0.04  -0.08
     3   6     0.02   0.03  -0.04    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
     4   6     0.03   0.06  -0.11     0.00   0.01  -0.01    -0.01  -0.01  -0.02
     5   6    -0.01   0.07  -0.15    -0.02   0.07  -0.01    -0.03  -0.04  -0.06
     6   1     0.23  -0.04  -0.13    -0.14   0.15   0.05    -0.16  -0.07  -0.06
     7   1     0.10   0.18  -0.33    -0.12  -0.27   0.62    -0.03  -0.08   0.19
     8   1     0.17   0.05  -0.28    -0.03  -0.08   0.15    -0.11  -0.27   0.55
     9   1    -0.09  -0.13  -0.06    -0.02  -0.01  -0.01    -0.01  -0.00  -0.02
    10   1     0.07   0.08   0.04     0.00   0.00   0.00     0.00   0.02   0.02
    11   1    -0.01   0.02  -0.03     0.02   0.02   0.02     0.02  -0.00  -0.00
    12   1    -0.28   0.20   0.13    -0.05   0.06   0.04    -0.01   0.09   0.04
    13   1    -0.06  -0.13   0.26    -0.05   0.02   0.05     0.00  -0.04   0.02
    14   1     0.24  -0.34   0.05     0.02   0.03   0.02     0.03   0.03   0.05
    15   1    -0.00   0.00   0.16    -0.15  -0.05   0.13     0.11   0.05  -0.09
    16   1     0.09  -0.01  -0.05     0.11  -0.58  -0.09     0.19   0.49   0.38
    17   1    -0.02  -0.13   0.09     0.08   0.01  -0.08    -0.16  -0.04   0.14
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1331.8808              1338.0551              1412.0156
 Red. masses --      1.5471                 1.3400                 1.2333
 Frc consts  --      1.6170                 1.4135                 1.4488
 IR Inten    --      1.3710                 3.5397                 5.1192
 RamAct Fr= 1--      3.1672                 1.1235                 0.1198
  Dep-P Fr= 1--      0.7194                 0.7400                 0.7332
  Dep-U Fr= 1--      0.8368                 0.8506                 0.8461
 Alpha2 Fr= 1--      0.0017                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4417                 0.1593                 0.0169
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--      0.0838                 0.0918                -0.0213
 Delta2 Fr= 1--     -0.0026                -0.0063                -0.0150
 Raman1 Fr= 1--      12.669                  4.494                  0.479
 ROA1   Fr= 1--       7.964                  8.617                 -2.528
 CID1   Fr= 1--       0.629                  1.917                 -5.276
 Raman2 Fr= 1--       5.301                  1.911                  0.203
 ROA2   Fr= 1--       2.032                  2.254                 -0.392
 CID2   Fr= 1--       0.383                  1.179                 -1.932
 Raman3 Fr= 1--      10.602                  3.823                  0.405
 ROA3   Fr= 1--       7.964                  8.617                 -2.528
 CID3   Fr= 1--       0.751                  2.254                 -6.236
 RC180  Fr= 1--       0.674                  0.701                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.02   0.10   0.05    -0.00   0.02   0.00
     2   6    -0.06  -0.02   0.05     0.00   0.01  -0.00    -0.00  -0.01   0.01
     3   6    -0.02  -0.01   0.01    -0.02  -0.02  -0.02     0.00   0.00   0.00
     4   6    -0.04   0.00   0.02    -0.02  -0.02  -0.01     0.06  -0.12  -0.04
     5   6    -0.05   0.04  -0.08     0.00   0.02   0.01    -0.00   0.00  -0.01
     6   1     0.13  -0.00  -0.01    -0.05  -0.26  -0.13     0.03  -0.02  -0.00
     7   1     0.03   0.10  -0.16     0.10   0.20  -0.44    -0.03   0.01  -0.11
     8   1     0.02   0.07  -0.19    -0.11  -0.25   0.52    -0.05   0.06  -0.01
     9   1    -0.00   0.01   0.01     0.01   0.02  -0.02     0.00  -0.01   0.00
    10   1    -0.04  -0.03  -0.03     0.01   0.01   0.03     0.00  -0.00  -0.01
    11   1     0.02   0.01   0.02    -0.00  -0.02  -0.01    -0.01  -0.00  -0.01
    12   1     0.13   0.02  -0.05     0.10   0.01  -0.04    -0.18   0.40   0.35
    13   1     0.07  -0.03  -0.09     0.06  -0.08  -0.03    -0.44   0.35   0.04
    14   1    -0.01   0.04   0.06     0.05  -0.02   0.07    -0.09   0.56   0.01
    15   1    -0.12  -0.05   0.10    -0.09  -0.06   0.13    -0.01  -0.00   0.02
    16   1     0.59  -0.30   0.57    -0.04  -0.43  -0.19     0.03  -0.03   0.02
    17   1    -0.14  -0.03   0.12     0.08   0.05  -0.13    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.4030              1498.5711              1500.9194
 Red. masses --      1.0747                 1.0540                 1.0583
 Frc consts  --      1.3747                 1.3946                 1.4047
 IR Inten    --      2.8805                 4.9302                 6.8482
 RamAct Fr= 1--      4.0494                 3.5027                 2.1587
  Dep-P Fr= 1--      0.7464                 0.7499                 0.7491
  Dep-U Fr= 1--      0.8548                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.5769                 0.5003                 0.3082
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0255                -0.0236                 0.0104
 Delta2 Fr= 1--     -0.0214                 0.0217                 0.0286
 Raman1 Fr= 1--      16.198                 14.011                  8.635
 ROA1   Fr= 1--      -3.138                 -1.566                  1.914
 CID1   Fr= 1--      -0.194                 -0.112                  0.222
 Raman2 Fr= 1--       6.923                  6.004                  3.698
 ROA2   Fr= 1--      -0.442                 -0.739                  0.020
 CID2   Fr= 1--      -0.064                 -0.123                  0.005
 Raman3 Fr= 1--      13.845                 12.008                  7.396
 ROA3   Fr= 1--      -3.138                 -1.566                  1.914
 CID3   Fr= 1--      -0.227                 -0.130                  0.259
 RC180  Fr= 1--       0.710                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01    -0.03  -0.02   0.01    -0.02   0.00  -0.04
     2   6    -0.07   0.01  -0.00     0.01   0.00  -0.00    -0.02   0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.02    -0.04  -0.03   0.01    -0.02   0.00  -0.05
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
     6   1    -0.07   0.01  -0.00    -0.00   0.01   0.00    -0.03   0.01   0.01
     7   1     0.55   0.27   0.24    -0.02  -0.02   0.03     0.19   0.09   0.09
     8   1     0.46  -0.46  -0.10     0.00   0.02  -0.02     0.16  -0.15  -0.06
     9   1     0.00  -0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.01
    10   1     0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.01  -0.01
    11   1    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.01  -0.00   0.00
    12   1    -0.07   0.10   0.11     0.58   0.40  -0.03     0.22  -0.20  -0.24
    13   1     0.07   0.06  -0.18    -0.13   0.37  -0.37    -0.32  -0.05   0.47
    14   1    -0.14  -0.03  -0.17     0.22  -0.34   0.20     0.36   0.21   0.49
    15   1     0.00  -0.00   0.01     0.01   0.01  -0.00     0.00   0.00  -0.01
    16   1    -0.01  -0.00  -0.01    -0.03   0.03  -0.03    -0.00   0.01   0.01
    17   1     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9753              2206.9434              2244.9986
 Red. masses --      2.1312                 2.1899                 2.2674
 Frc consts  --      5.9128                 6.2842                 6.7329
 IR Inten    --     15.1277                14.2572                14.3438
 RamAct Fr= 1--     69.8831                74.1862                55.5707
  Dep-P Fr= 1--      0.0010                 0.0536                 0.1618
  Dep-U Fr= 1--      0.0019                 0.1018                 0.2785
 Alpha2 Fr= 1--      1.5495                 1.4528                 0.8337
 Beta2  Fr= 1--      0.0223                 1.2583                 2.5793
 AlphaG Fr= 1--      0.0000                 0.0002                 0.0001
 Gamma2 Fr= 1--      0.0320                -0.0327                -0.0665
 Delta2 Fr= 1--      0.0298                -0.0364                -0.0632
 Raman1 Fr= 1--     279.533                296.745                222.283
 ROA1   Fr= 1--       4.027                 -4.304                 -8.406
 CID1   Fr= 1--       0.014                 -0.015                 -0.038
 Raman2 Fr= 1--       0.267                 15.100                 30.952
 ROA2   Fr= 1--       0.529                 -0.494                 -1.090
 CID2   Fr= 1--       1.980                 -0.033                 -0.035
 Raman3 Fr= 1--       0.534                 30.200                 61.904
 ROA3   Fr= 1--       4.027                 -4.304                 -8.406
 CID3   Fr= 1--       7.534                 -0.143                 -0.136
 RC180  Fr= 1--      -0.996                 -0.796                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.05   0.07  -0.14
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00     0.00  -0.01   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04     0.00  -0.00   0.00
     6   1    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.34  -0.43   0.81
     7   1    -0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.04   0.07   0.01
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.04  -0.04
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.03    -0.00   0.01  -0.01
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01    -0.01   0.02   0.01
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17    -0.01   0.01   0.00
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07    -0.00  -0.00   0.00
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.01  -0.01  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1989              2284.5344              2285.8662
 Red. masses --      2.3739                 2.3767                 2.3788
 Frc consts  --      7.2911                 7.3082                 7.3234
 IR Inten    --      7.7808                16.5072                24.7961
 RamAct Fr= 1--     15.9142                32.9516                49.4712
  Dep-P Fr= 1--      0.7491                 0.7487                 0.7496
  Dep-U Fr= 1--      0.8565                 0.8563                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.0007                 0.0003
 Beta2  Fr= 1--      2.2718                 4.7026                 7.0654
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.4052                 0.2867                 1.2568
 Delta2 Fr= 1--     -1.2880                 0.2584                 1.1547
 Raman1 Fr= 1--      63.657                131.807                197.885
 ROA1   Fr= 1--    -176.113                 35.791                157.604
 CID1   Fr= 1--      -2.767                  0.272                  0.796
 Raman2 Fr= 1--      27.262                 56.431                 84.784
 ROA2   Fr= 1--     -23.420                  4.813                 20.926
 CID2   Fr= 1--      -0.859                  0.085                  0.247
 Raman3 Fr= 1--      54.524                112.863                169.569
 ROA3   Fr= 1--    -176.113                 35.791                157.604
 CID3   Fr= 1--      -3.230                  0.317                  0.929
 RC180  Fr= 1--       0.713                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.07  -0.11   0.04
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.01   0.12   0.06    -0.00   0.00   0.00    -0.02  -0.12  -0.06
     6   1    -0.01   0.01  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1    -0.17   0.19  -0.38    -0.18   0.20  -0.39    -0.17   0.20  -0.38
    10   1    -0.05  -0.02   0.04     0.61   0.18  -0.49    -0.03  -0.01   0.03
    11   1    -0.24   0.45   0.14     0.15  -0.28  -0.08    -0.23   0.43   0.13
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.02  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23    -0.00  -0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2159              3044.1268              3064.1894
 Red. masses --      1.0345                 1.0601                 1.0831
 Frc consts  --      5.5633                 5.7880                 5.9916
 IR Inten    --     32.2051                28.2550                25.3700
 RamAct Fr= 1--    137.2079               146.8704                95.5317
  Dep-P Fr= 1--      0.0006                 0.0644                 0.1752
  Dep-U Fr= 1--      0.0011                 0.1210                 0.2981
 Alpha2 Fr= 1--      3.0451                 2.8029                 1.3846
 Beta2  Fr= 1--      0.0255                 2.9631                 4.7464
 AlphaG Fr= 1--     -0.0002                -0.0003                -0.0003
 Gamma2 Fr= 1--      0.0109                 0.3552                -0.3484
 Delta2 Fr= 1--      0.0099                 0.3282                -0.3250
 Raman1 Fr= 1--     548.832                587.482                382.127
 ROA1   Fr= 1--       1.365                 44.605                -43.847
 CID1   Fr= 1--       0.002                  0.076                 -0.115
 Raman2 Fr= 1--       0.306                 35.557                 56.957
 ROA2   Fr= 1--       0.182                  5.900                 -5.761
 CID2   Fr= 1--       0.595                  0.166                 -0.101
 Raman3 Fr= 1--       0.613                 71.114                113.915
 ROA3   Fr= 1--       1.365                 44.605                -43.847
 CID3   Fr= 1--       2.228                  0.627                 -0.385
 RC180  Fr= 1--      -0.998                 -0.758                 -0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01   0.00  -0.00     0.07  -0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00  -0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.06  -0.02   0.05
     6   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00  -0.00   0.00
     7   1     0.03  -0.05  -0.02    -0.33   0.59   0.19    -0.01   0.02   0.01
     8   1     0.04   0.04   0.03    -0.45  -0.44  -0.31    -0.01  -0.01  -0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.03  -0.04   0.07     0.02  -0.02   0.04
    13   1    -0.37  -0.35  -0.26    -0.02  -0.02  -0.01    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03    -0.05  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.03  -0.01   0.02     0.74   0.22  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7513              3083.7225              3085.3043
 Red. masses --      1.1023                 1.1016                 1.1013
 Frc consts  --      6.1682                 6.1718                 6.1767
 IR Inten    --     16.1995                38.3851                55.1360
 RamAct Fr= 1--     30.6706                64.1393                93.8778
  Dep-P Fr= 1--      0.7457                 0.7361                 0.7494
  Dep-U Fr= 1--      0.8544                 0.8480                 0.8568
 Alpha2 Fr= 1--      0.0022                 0.0152                 0.0009
 Beta2  Fr= 1--      4.3673                 9.0649                13.4054
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -9.0958                 1.9696                 7.0483
 Delta2 Fr= 1--     -8.3588                 1.8111                 6.4820
 Raman1 Fr= 1--     122.682                256.557                375.511
 ROA1   Fr= 1--   -1140.682                247.034                884.058
 CID1   Fr= 1--      -9.298                  0.963                  2.354
 Raman2 Fr= 1--      52.407                108.779                160.865
 ROA2   Fr= 1--    -151.430                 32.781                117.303
 CID2   Fr= 1--      -2.889                  0.301                  0.729
 Raman3 Fr= 1--     104.815                217.558                321.730
 ROA3   Fr= 1--   -1140.682                247.034                884.058
 CID3   Fr= 1--     -10.883                  1.135                  2.748
 RC180  Fr= 1--       0.709                  0.696                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.00    -0.01  -0.05  -0.03
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.05   0.02   0.02     0.01   0.03  -0.09    -0.06  -0.03  -0.01
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   1    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
     7   1    -0.26   0.44   0.14    -0.02   0.04   0.01    -0.22   0.38   0.12
     8   1     0.34   0.31   0.23     0.06   0.05   0.04     0.32   0.29   0.21
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.08   0.12  -0.20     0.28  -0.34   0.61     0.05  -0.08   0.13
    13   1    -0.34  -0.34  -0.25     0.09   0.10   0.04     0.37   0.37   0.27
    14   1    -0.22  -0.06   0.20    -0.48  -0.12   0.38     0.31   0.08  -0.27
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.04  -0.01   0.04    -0.05  -0.02   0.05     0.04   0.01  -0.04
    17   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   2.01410
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   452.72763 472.96466 492.88718
           X            0.64202   0.28349   0.71235
           Y            0.18336   0.84539  -0.50169
           Z            0.74444  -0.45271  -0.49078
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19132     0.18313     0.17573
 Rotational constants (GHZ):           3.98637     3.81581     3.66157
 Zero-point vibrational energy     366684.8 (Joules/Mol)
                                   87.63977 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.92   297.18   331.37   381.15   434.62
          (Kelvin)            435.51   538.40   549.20   561.70   977.32
                             1083.01  1104.57  1159.21  1190.33  1256.80
                             1324.84  1431.04  1449.52  1548.83  1551.67
                             1560.17  1581.83  1727.86  1772.17  1779.91
                             1899.21  1901.80  1916.28  1925.16  2031.58
                             2119.90  2156.11  2159.49  3122.11  3175.30
                             3230.05  3285.01  3286.94  3288.85  4346.86
                             4379.82  4408.69  4433.95  4436.79  4439.06
 
 Zero-point correction=                           0.139663 (Hartree/Particle)
 Thermal correction to Energy=                    0.147314
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732194
 Sum of electronic and thermal Energies=              -197.724543
 Sum of electronic and thermal Enthalpies=            -197.723598
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.040             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.664             23.079             16.216
 Vibration     1          0.622              1.889              2.528
 Vibration     2          0.641              1.831              2.074
 Vibration     3          0.652              1.795              1.877
 Vibration     4          0.671              1.737              1.629
 Vibration     5          0.694              1.670              1.405
 Vibration     6          0.694              1.669              1.402
 Vibration     7          0.745              1.525              1.062
 Vibration     8          0.751              1.509              1.032
 Vibration     9          0.758              1.491              0.999
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385615D-50        -50.413846       -116.082170
 Total V=0       0.670736D+14         13.826552         31.836812
 Vib (Bot)       0.122154D-62        -62.913092       -144.862747
 Vib (Bot)    1  0.124809D+01          0.096247          0.221617
 Vib (Bot)    2  0.962919D+00         -0.016410         -0.037786
 Vib (Bot)    3  0.855064D+00         -0.068002         -0.156579
 Vib (Bot)    4  0.731403D+00         -0.135844         -0.312791
 Vib (Bot)    5  0.628822D+00         -0.201472         -0.463907
 Vib (Bot)    6  0.627328D+00         -0.202505         -0.466285
 Vib (Bot)    7  0.485112D+00         -0.314158         -0.723375
 Vib (Bot)    8  0.473098D+00         -0.325049         -0.748452
 Vib (Bot)    9  0.459727D+00         -0.337500         -0.777124
 Vib (V=0)       0.212474D+02          1.327306          3.056234
 Vib (V=0)    1  0.184452D+01          0.265884          0.612220
 Vib (V=0)    2  0.158499D+01          0.200028          0.460581
 Vib (V=0)    3  0.149052D+01          0.173338          0.399126
 Vib (V=0)    4  0.138597D+01          0.141755          0.326403
 Vib (V=0)    5  0.130338D+01          0.115071          0.264960
 Vib (V=0)    6  0.130221D+01          0.114681          0.264063
 Vib (V=0)    7  0.119666D+01          0.077970          0.179533
 Vib (V=0)    8  0.118835D+01          0.074943          0.172564
 Vib (V=0)    9  0.117923D+01          0.071597          0.164859
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116293D+06          5.065552         11.663865
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111  1                                         
   000000                            2222 21                          544 43333  222 0000  09  9 888 77  6         333  3 222 1      
   888642                            8884 07                          097 13322  330 9877  09  2 720 65  7         987  0 630 6      
   542441                            6535 70                          193 28220  721 9486  75  1 476 83  9         024  2 507 2      
 
   XXXXXX                            XXXX XX                          XXX XXXXX  XXX XXXX  XX  X XXX XX            X                 
   XXXXXX                            XXXX XX                          XX  X  XX   X   X                                              
   XXXXXX                            XXXX XX                                      X                                                  
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX                                                                                              
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                                                                                                                            
   XX   X                                                                                                                            
   XX   X                                                                                                                            
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.673033D+02 -0.523846D-03  0.271822D-03
      2  -0.523846D-03  0.673024D+02 -0.694870D-03
      3   0.271822D-03 -0.694870D-03  0.673028D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.672751D-03  0.199739D-02 -0.201299D-02
      2  -0.258692D-02  0.409257D-03  0.214206D-02
      3   0.125392D-02 -0.416834D-03 -0.106709D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.346302D+00  0.174531D-01  0.125769D+01
      2   0.159623D+01 -0.979590D+00 -0.459459D+00
      3  -0.124993D+01  0.962137D+00 -0.798230D+00
      4   0.164346D-01  0.159704D+01  0.169331D+01
      5   0.125948D+01  0.169331D+01 -0.124689D+01
      6   0.169355D+01 -0.456502D+00  0.959417D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.100267D+01  0.592868D-01  0.366136D+01  0.604922D-01  0.464012D+01
      2   0.592868D-01  0.463730D+01  0.493738D+01  0.464012D+01 -0.284198D+01
      3   0.366136D+01  0.493738D+01 -0.363165D+01  0.493671D+01 -0.134503D+01
                 6             7             8             9            10 
      1   0.493671D+01  0.366226D+01  0.493832D+01 -0.363522D+01 -0.101067D+01
      2  -0.134503D+01  0.493832D+01 -0.134637D+01  0.278669D+01 -0.131664D+00
      3   0.279229D+01 -0.363522D+01  0.278669D+01 -0.231430D+01 -0.243119D+01
                11            12            13            14            15 
      1  -0.131664D+00 -0.243119D+01  0.100567D+00 -0.449519D+01 -0.383225D+01
      2  -0.365578D+01 -0.383306D+01 -0.449519D+01  0.140076D+01  0.187600D+01
      3  -0.383306D+01  0.293766D+01 -0.383225D+01  0.187600D+01 -0.198787D+01
                16            17            18            19            20 
      1  -0.312684D+01 -0.383401D+01  0.210397D+01  0.243038D+01  0.406438D+00
      2  -0.383401D+01  0.118385D+01 -0.222248D+01  0.406438D+00 -0.363614D+01
      3   0.210397D+01 -0.222248D+01  0.336904D+01 -0.237723D+01 -0.398084D+01
                21            22            23            24            25 
      1  -0.237723D+01 -0.280670D+00 -0.292058D+01 -0.398059D+01 -0.287860D+01
      2  -0.398084D+01 -0.292058D+01  0.375986D+01  0.134790D+01 -0.398030D+01
      3   0.268572D+01 -0.398059D+01  0.134790D+01 -0.205630D+01  0.340127D+01
                26            27            28            29            30 
      1  -0.398030D+01  0.340127D+01  0.214125D+01 -0.958934D+00 -0.297509D+01
      2   0.842131D+00 -0.137035D+01 -0.958934D+00 -0.387310D+01 -0.383640D+01
      3  -0.137035D+01  0.307383D+01 -0.297509D+01 -0.383640D+01  0.281102D+01
                31            32            33            34            35 
      1  -0.197928D-01 -0.335153D+01 -0.383689D+01 -0.269489D+01 -0.383795D+01
      2  -0.335153D+01  0.362421D+00  0.952349D+00 -0.383795D+01  0.123627D+01
      3  -0.383689D+01  0.952349D+00 -0.228757D+01  0.333532D+01 -0.322844D+01
                36            37            38            39            40 
      1   0.333532D+01 -0.394784D+00  0.510727D+00 -0.373839D+01  0.217496D-01
      2  -0.322844D+01  0.510727D+00 -0.343267D+01 -0.389341D+01 -0.383535D+01
      3   0.882821D+00 -0.373839D+01 -0.389341D+01  0.300078D+01 -0.389602D+01
                41            42            43            44            45 
      1  -0.383535D+01 -0.389602D+01 -0.282255D+01 -0.389514D+01  0.260046D+01
      2   0.342761D+01  0.572948D-01 -0.389514D+01  0.972452D+00 -0.195856D+01
      3   0.572948D-01 -0.245335D+01  0.260046D+01 -0.195856D+01 -0.389946D-01
                46            47            48            49            50 
      1  -0.708179D+00  0.434927D+00 -0.626786D+00  0.759907D+00  0.280065D+00
      2   0.434927D+00 -0.545304D+00  0.981005D+00  0.280065D+00  0.185743D+01
      3  -0.626786D+00  0.981005D+00 -0.217475D+01  0.343053D+00 -0.202625D+01
                51            52            53            54            55 
      1   0.343053D+00 -0.116927D+01  0.387292D+00 -0.309780D+00  0.324943D+01
      2  -0.202625D+01  0.387292D+00 -0.213227D+01  0.245914D+01 -0.174012D+01
      3   0.276365D+01 -0.309780D+00  0.245914D+01 -0.702467D+01 -0.102542D+01
                56            57            58            59            60 
      1  -0.174012D+01 -0.102542D+01 -0.328191D+01  0.272644D+01  0.171309D+01
      2   0.214590D+01  0.100998D+01  0.272644D+01 -0.443124D+01 -0.166410D+01
      3   0.100998D+01  0.937837D+00  0.171309D+01 -0.166410D+01 -0.198341D+01
                61            62            63            64            65 
      1  -0.746524D+00  0.940992D+00  0.916187D+00  0.497058D+01  0.233411D+01
      2   0.940992D+00 -0.112858D+01 -0.867124D+00  0.233411D+01  0.247250D+01
      3   0.916187D+00 -0.867124D+00 -0.174997D+01  0.773049D+00  0.690892D+00
                66            67            68            69            70 
      1   0.773049D+00  0.308224D+01  0.275056D+01  0.626698D+00  0.243034D+01
      2   0.690892D+00  0.275056D+01  0.310984D+01  0.337872D+00  0.135657D+01
      3   0.917714D+00  0.626698D+00  0.337872D+00  0.128206D+01  0.756427D+00
                71            72            73            74            75 
      1   0.135657D+01  0.756427D+00 -0.234346D+01  0.269513D+00 -0.160176D+01
      2   0.130055D+01  0.941736D+00  0.269513D+00 -0.338928D+00  0.619895D+00
      3   0.941736D+00  0.906462D+00 -0.160176D+01  0.619895D+00 -0.224325D+01
                76            77            78            79            80 
      1   0.134239D+01 -0.326657D+00  0.131813D+01 -0.225646D+01  0.545673D+00
      2  -0.326657D+00  0.825380D+00 -0.114309D+01  0.545673D+00 -0.153849D+01
      3   0.131813D+01 -0.114309D+01  0.231777D+01 -0.284003D+01  0.820427D+00
                81            82            83            84            85 
      1  -0.284003D+01 -0.607562D+01 -0.187919D+01  0.182137D+01 -0.121818D+01
      2   0.820427D+00 -0.187919D+01 -0.147678D+01  0.812948D+00 -0.105068D+01
      3  -0.635272D+01  0.182137D+01  0.812948D+00 -0.198342D+01  0.754846D+00
                86            87            88            89            90 
      1  -0.105068D+01  0.754846D+00  0.349412D+01  0.148251D+01 -0.198686D+01
      2  -0.156958D+01  0.440570D+00  0.148251D+01  0.142261D+01 -0.598316D+00
      3   0.440570D+00 -0.351674D+00 -0.198686D+01 -0.598316D+00  0.190518D+01
                91            92            93            94            95 
      1   0.104905D+01 -0.117953D+01 -0.214647D+00 -0.153412D+01  0.108295D+01
      2  -0.117953D+01  0.295836D+01  0.115852D+01  0.108295D+01 -0.736783D+01
      3  -0.214647D+00  0.115852D+01  0.820809D+00  0.518637D+00 -0.210604D+01
                96            97            98            99           100 
      1   0.518637D+00 -0.224578D+00  0.563236D+00 -0.173485D-01 -0.206345D+01
      2  -0.210604D+01  0.563236D+00 -0.168168D+01 -0.132239D+01  0.139508D+01
      3  -0.168721D+01 -0.173485D-01 -0.132239D+01 -0.153586D+01 -0.934377D+00
               101           102           103           104           105 
      1   0.139508D+01 -0.934377D+00  0.116984D+01 -0.100507D+01  0.102825D+01
      2  -0.113245D+01  0.108848D+01 -0.100507D+01  0.305453D+01 -0.168321D+01
      3   0.108848D+01 -0.154492D+01  0.102825D+01 -0.168321D+01  0.183497D+01
               106           107           108           109           110 
      1  -0.193697D+01  0.175744D+01 -0.184899D+01  0.208468D+01  0.169482D+01
      2   0.175744D+01 -0.338083D+01  0.246468D+01  0.169482D+01  0.356618D+01
      3  -0.184899D+01  0.246468D+01 -0.407208D+01  0.122959D+01  0.158034D+01
               111           112           113           114           115 
      1   0.122959D+01  0.150722D+01  0.166866D+01  0.943037D+00  0.129889D+01
      2   0.158034D+01  0.166866D+01  0.483471D+01  0.174065D+01  0.983263D+00
      3   0.139631D+01  0.943037D+00  0.174065D+01  0.181436D+01  0.541330D+00
               116           117           118           119           120 
      1   0.983263D+00  0.541330D+00 -0.545723D+01  0.621476D+00  0.287123D+01
      2   0.223843D+01  0.202569D+01  0.621476D+00 -0.106221D+01  0.134999D-01
      3   0.202569D+01  0.204265D+01  0.287123D+01  0.134999D-01 -0.282208D+01
               121           122           123           124           125 
      1  -0.852870D+00 -0.342733D+00  0.711269D+00  0.324023D+01 -0.590500D-01
      2  -0.342733D+00 -0.290614D+00  0.419078D+00 -0.590500D-01  0.105479D+01
      3   0.711269D+00  0.419078D+00 -0.426603D+00 -0.271467D+01  0.622086D+00
               126           127           128           129           130 
      1  -0.271467D+01  0.244678D+01 -0.208707D+01  0.496016D+00 -0.244728D+01
      2   0.622086D+00 -0.208707D+01  0.287837D+01  0.135345D+00  0.291657D+01
      3   0.329138D+01  0.496016D+00  0.135345D+00  0.589244D+00  0.737253D-01
               131           132           133           134           135 
      1   0.291657D+01  0.737253D-01 -0.445942D+00  0.802068D+00  0.189958D+00
      2  -0.663201D+01  0.399159D+00  0.802068D+00 -0.123343D+01 -0.536009D+00
      3   0.399159D+00 -0.131349D+01  0.189958D+00 -0.536009D+00 -0.403857D+00
               136           137           138           139           140 
      1  -0.314912D+01 -0.920349D+00  0.252253D+01 -0.670036D+00 -0.407772D+00
      2  -0.920349D+00 -0.127467D+01  0.146216D+01 -0.407772D+00 -0.136092D+01
      3   0.252253D+01  0.146216D+01 -0.403015D+01  0.822732D+00  0.114232D+01
               141           142           143           144           145 
      1   0.822732D+00  0.214407D+01  0.863925D+00 -0.212257D+01  0.383305D+01
      2   0.114232D+01  0.863925D+00  0.118785D+01 -0.115145D+01  0.117047D+01
      3  -0.913351D+00 -0.212257D+01 -0.115145D+01  0.486308D+01  0.254974D+01
               146           147           148           149           150 
      1   0.117047D+01  0.254974D+01  0.226044D+01  0.167020D+01  0.175557D+01
      2   0.176943D+01  0.105326D+01  0.167020D+01  0.186164D+01  0.125453D+01
      3   0.105326D+01  0.233313D+01  0.175557D+01  0.125453D+01  0.265573D+01
               151           152           153 
      1   0.203272D+01  0.985170D+00  0.163054D+01
      2   0.985170D+00  0.100272D+01  0.113468D+01
      3   0.163054D+01  0.113468D+01  0.315802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368488D-02 -0.428526D-03  0.286682D-02  0.364899D-02 -0.756333D-02
      2   0.455613D-02  0.106902D-01  0.459552D+01  0.255507D-02 -0.217726D-02
      3  -0.130538D-01 -0.459934D+01 -0.503608D-02  0.459293D+01 -0.125985D-01
                 6             7             8             9            10 
      1  -0.459205D+01  0.142264D-01  0.458714D+01 -0.652334D-02  0.109500D+01
      2   0.402526D-02 -0.458737D+01 -0.636719D-02  0.572965D-02 -0.642513D+01
      3  -0.265572D-02  0.276496D-02  0.308645D-02 -0.777791D-02 -0.853702D+00
                11            12            13            14            15 
      1   0.643428D+01  0.350154D+01  0.777149D+01 -0.179418D+01 -0.402789D+01
      2  -0.577495D+01  0.308318D+01 -0.540367D+01 -0.254719D+01 -0.739183D+01
      3   0.404079D+01  0.467969D+01  0.935008D+01 -0.303147D+01 -0.522371D+01
                16            17            18            19            20 
      1   0.395752D+01  0.764377D+00  0.702100D+00 -0.303685D+01 -0.196188D+01
      2  -0.319743D+01 -0.784655D+01  0.897009D+01  0.601012D+01  0.572586D+01
      3   0.430547D+01 -0.388584D+01  0.388871D+01 -0.388500D+01 -0.678904D+01
                21            22            23            24            25 
      1   0.699210D+01 -0.279663D+01 -0.273111D+01 -0.511021D+01  0.812997D+01
      2  -0.354607D+01  0.492474D+01 -0.402121D+01 -0.151707D+01 -0.886625D+01
      3  -0.268970D+01 -0.963411D+00  0.937403D+01  0.681974D+01 -0.188463D+01
                26            27            28            29            30 
      1   0.117664D+00  0.575444D+01  0.417427D+01  0.434959D+01 -0.679353D+01
      2  -0.265510D+01 -0.199417D+01  0.109954D+01  0.427926D+01  0.524678D+00
      3   0.598494D+01 -0.547471D+01  0.411425D+01 -0.799842D+01 -0.845368D+01
                31            32            33            34            35 
      1   0.469256D+01 -0.217605D+01  0.322078D+01 -0.792839D+01  0.900272D+01
      2   0.367251D+01  0.733805D+00  0.440303D+01 -0.385277D+01  0.553873D+01
      3  -0.177254D+01 -0.650617D+01 -0.542654D+01 -0.784748D+01 -0.508531D+01
                36            37            38            39            40 
      1  -0.200171D+01 -0.224491D+01 -0.881103D+01 -0.372571D+01 -0.966097D+01
      2  -0.182614D+01 -0.673696D+00 -0.423192D+01  0.108555D+02 -0.319939D+01
      3   0.238871D+01  0.623336D+00 -0.175314D+00  0.647510D+01  0.431357D+01
                41            42            43            44            45 
      1   0.668956D+01 -0.500732D+01 -0.417757D+01  0.103857D+01 -0.446255D+01
      2   0.583206D+01  0.452508D+01  0.499121D+01  0.497660D+01 -0.516629D+01
      3   0.174095D+00  0.382802D+01  0.544663D+01  0.297991D+01 -0.797931D+00
                46            47            48            49            50 
      1  -0.292467D+00  0.983412D+00  0.149508D+00 -0.390314D+00 -0.217456D+01
      2  -0.275785D+01  0.161657D+01 -0.214530D+01  0.274438D+01 -0.224758D+01
      3  -0.139995D+01 -0.675386D-01 -0.132656D+01  0.148446D+01 -0.193129D+01
                51            52            53            54            55 
      1  -0.260562D+00 -0.408324D+00  0.421084D+01  0.751798D+00  0.238361D+01
      2   0.428127D+01 -0.518691D+01  0.404821D+01 -0.947474D+01  0.246755D+01
      3   0.261840D+01 -0.226285D+01  0.288595D+01 -0.364968D+01  0.254310D+01
                56            57            58            59            60 
      1  -0.370320D+01 -0.743443D+00 -0.330030D+01  0.666709D+01 -0.986439D-01
      2  -0.501344D+00  0.176009D+01 -0.210349D+01  0.882118D+00 -0.206928D+01
      3  -0.560330D+01 -0.186892D+01 -0.214249D+01  0.867940D+01  0.242113D+01
                61            62            63            64            65 
      1  -0.150806D+01  0.280994D+01  0.903053D+00 -0.303571D+01 -0.290086D+01
      2  -0.935108D+00  0.122301D+00 -0.157127D+01  0.596633D+01  0.389538D+01
      3  -0.139408D+01  0.262408D+01  0.140304D+01 -0.361949D+00 -0.478805D+01
                66            67            68            69            70 
      1  -0.245395D+01 -0.309406D+01 -0.297020D+01 -0.301053D+01 -0.153350D+01
      2   0.463179D+01  0.404999D+01  0.356996D+01  0.420196D+01  0.201794D+01
      3  -0.871138D+00 -0.600280D+00 -0.416402D+01 -0.458038D+00 -0.909810D-01
                71            72            73            74            75 
      1  -0.744337D+00 -0.222304D+01 -0.192449D+01  0.196629D+01 -0.321579D+01
      2   0.264115D+01  0.316671D+01 -0.829970D+00 -0.622757D+00  0.291706D+01
      3  -0.209233D+01 -0.111563D+01  0.233721D+01 -0.207135D+01  0.253082D+01
                76            77            78            79            80 
      1   0.128987D+01 -0.305643D+01  0.224871D+01 -0.346339D+01  0.545033D+01
      2   0.646694D+00  0.118753D+01 -0.207880D+01 -0.126491D+01 -0.851964D+00
      3  -0.382697D+00  0.199288D+01 -0.246897D+01  0.263225D+01 -0.385656D+01
                81            82            83            84            85 
      1  -0.712819D+01  0.372690D+01  0.120842D+01 -0.396845D+01  0.169128D+01
      2   0.592070D+01 -0.609052D+01 -0.237880D+01  0.687372D+01 -0.201221D+01
      3   0.432696D+01  0.503550D+01 -0.214031D+01 -0.133681D+01  0.153699D+01
                86            87            88            89            90 
      1   0.121340D+01 -0.177061D+01 -0.307173D+01  0.715326D-01  0.328207D+01
      2  -0.122641D+01  0.165384D+01  0.331840D+01  0.139813D+01 -0.538752D+01
      3  -0.107515D+01 -0.483096D+00 -0.263357D+01  0.144119D+01  0.168136D+01
                91            92            93            94            95 
      1   0.825527D+00 -0.143972D+01  0.108370D+01 -0.520379D+00  0.427821D+01
      2   0.164198D+01 -0.199161D+01  0.201621D+00 -0.293254D+01  0.351769D+01
      3  -0.390206D+01  0.318694D+01  0.117147D+01  0.657286D+01 -0.913020D+01
                96            97            98            99           100 
      1  -0.297314D+01 -0.550928D+00  0.125426D+01 -0.120506D+01  0.188209D+01
      2   0.178615D+01 -0.125666D+01  0.180048D+01  0.126534D+01  0.823176D+00
      3  -0.298831D+01  0.166859D+01 -0.279908D+01 -0.126880D+01 -0.226488D+01
               101           102           103           104           105 
      1  -0.174389D+01  0.386948D+01 -0.226766D+01  0.301882D+01 -0.553261D+01
      2  -0.151144D+01  0.312723D+01 -0.776682D+00  0.195262D+01 -0.287830D+01
      3  -0.311300D+00 -0.351767D+00  0.253544D+01  0.138028D+01  0.325980D+00
               106           107           108           109           110 
      1   0.329392D+01 -0.237637D+01  0.893206D+01 -0.123105D+01  0.627437D-01
      2   0.610357D-01 -0.249546D+01  0.543235D+01 -0.291013D+01 -0.185945D+01
      3  -0.265124D+01 -0.112694D+01 -0.800887D+00  0.617476D+01  0.331475D+01
               111           112           113           114           115 
      1  -0.261537D+01 -0.893625D+00  0.167744D+00 -0.412714D+01 -0.415727D+00
      2  -0.186087D+00 -0.254433D+01 -0.234721D+01 -0.135874D+01 -0.257185D+01
      3   0.308478D+01  0.630546D+01  0.576369D+01  0.323135D+01  0.420743D+01
               116           117           118           119           120 
      1  -0.433409D+00 -0.281748D+01 -0.426116D+01 -0.209973D+01  0.467052D+01
      2  -0.193615D+01 -0.117413D+01  0.116751D+01 -0.363971D+00  0.352028D+01
      3   0.300615D+01  0.237194D+01 -0.756718D+01 -0.291330D+01  0.461140D+01
               121           122           123           124           125 
      1  -0.916864D+00 -0.124990D+01 -0.102916D+00  0.402537D+01  0.184402D+01
      2   0.119741D+00 -0.240799D+00  0.376546D+00 -0.103976D+01 -0.409921D+00
      3  -0.353916D+00 -0.140507D+01  0.115552D+01  0.525661D+01  0.253399D+01
               126           127           128           129           130 
      1  -0.443561D+01 -0.256981D+01  0.478587D+01  0.204738D+01  0.449381D+01
      2  -0.270802D+01 -0.288466D+01  0.306363D+01  0.137945D+01  0.376057D+01
      3  -0.363273D+01 -0.156991D+01 -0.181642D+01 -0.512001D+00  0.273775D+01
               131           132           133           134           135 
      1  -0.935663D+01 -0.393420D+01  0.998332D+00 -0.103426D+01 -0.190484D+01
      2  -0.429367D+01 -0.246916D+01 -0.233840D+00 -0.122651D+01 -0.103196D+01
      3   0.302214D+01 -0.211445D+00  0.355376D+00  0.425174D+00  0.231061D+00
               136           137           138           139           140 
      1   0.703241D+00 -0.216554D+01 -0.152458D+01  0.234107D+00 -0.141058D+01
      2   0.814141D+01  0.191116D+01 -0.381762D+01  0.220537D+01  0.108276D+01
      3   0.383164D+01 -0.566885D+00 -0.261182D+01  0.178827D+01  0.604121D+00
               141           142           143           144           145 
      1  -0.356620D+00 -0.404573D+00  0.289784D+01  0.244117D+01  0.380949D+01
      2  -0.180387D+01 -0.727078D+01 -0.213182D+01  0.525834D+01 -0.474996D+01
      3  -0.129692D+01 -0.310062D+01 -0.536649D+00  0.254582D+01 -0.284182D+01
               146           147           148           149           150 
      1   0.503568D+01  0.272372D+01  0.366377D+01  0.489277D+01  0.178370D+01
      2  -0.126668D+01 -0.123783D+00 -0.315425D+01 -0.183228D+01  0.335130D+00
      3  -0.435371D+01 -0.252557D+01 -0.135096D+01 -0.373486D+01 -0.184012D+01
               151           152           153 
      1   0.304255D+01  0.419095D+01  0.341806D+01
      2  -0.377643D+01 -0.965547D+00  0.314632D+00
      3  -0.200968D+01 -0.250177D+01 -0.208946D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.445614D+01 -0.272216D+01  0.248162D+01 -0.272375D+01 -0.184458D+01
      2  -0.185277D+01  0.290623D+01 -0.116438D+01  0.290671D+01  0.192360D+01
      3  -0.260337D+01 -0.184068D+00 -0.131724D+01 -0.182962D+00 -0.790185D-01
      4  -0.273232D+01 -0.188495D+01 -0.773352D+00 -0.188433D+01  0.291151D+01
      5   0.247392D+01 -0.775838D+00 -0.264149D+01 -0.772340D+00 -0.117014D+01
      6  -0.773551D+00 -0.116416D+01 -0.195750D+00 -0.116609D+01 -0.343224D+01
                 6             7             8             9            10 
      1  -0.768786D+00  0.248851D+01 -0.761875D+00 -0.261524D+01 -0.518027D+01
      2  -0.342371D+01 -0.116149D+01 -0.342133D+01 -0.707063D-01 -0.389018D+01
      3   0.419249D+01 -0.132702D+01  0.418320D+01  0.268594D+01  0.907045D+01
      4  -0.116676D+01 -0.769602D+00 -0.116532D+01 -0.195241D+00 -0.144263D+01
      5  -0.190836D+00 -0.264434D+01 -0.188706D+00 -0.132167D+01 -0.564242D+01
      6  -0.104464D+00 -0.196666D+00 -0.104446D+00  0.418784D+01 -0.405589D+01
                11            12            13            14            15 
      1  -0.431181D+01 -0.186141D+01 -0.446887D+01 -0.819851D+01 -0.138786D+02
      2  -0.613196D+01  0.338158D+01 -0.500318D+01  0.516642D+01  0.147072D+01
      3   0.104438D+02 -0.152016D+01  0.947205D+01  0.303209D+01  0.124079D+02
      4  -0.122507D+02 -0.968285D+01 -0.133228D+02  0.252196D+01  0.172510D+01
      5  -0.837453D+01  0.589785D+01 -0.934663D+01  0.645747D+01  0.296859D+01
      6   0.417734D+01  0.859791D+01  0.477335D+01 -0.389039D+01 -0.671066D+01
                16            17            18            19            20 
      1  -0.238231D+01 -0.141559D+02  0.135325D+02 -0.819778D+01 -0.894581D+01
      2   0.274658D+01  0.222488D+01 -0.144981D+01  0.247551D+01  0.637283D+01
      3  -0.364275D+00  0.119310D+02 -0.120827D+02  0.572227D+01  0.257299D+01
      4  -0.109373D+02  0.493260D+00 -0.968527D+00 -0.388777D+01  0.154124D+01
      5   0.609653D+01  0.222099D+01 -0.110223D+01  0.518314D+01  0.695977D+01
      6   0.687826D+01 -0.670899D+01  0.787236D+01  0.645737D+01  0.106416D+02
                21            22            23            24            25 
      1   0.526631D+01 -0.889212D+01  0.135657D+02  0.898815D+01  0.609239D+01
      2   0.871615D+01  0.494817D+01 -0.137320D+02 -0.109364D+02  0.771170D+01
      3  -0.139825D+02  0.394395D+01  0.166256D+00  0.194825D+01 -0.138041D+02
      4   0.105886D+02  0.255291D+01  0.344528D+01  0.456819D+01  0.115945D+02
      5  -0.585937D+01  0.720628D+01  0.405809D+01  0.797166D+01 -0.717328D+01
      6   0.425964D-01  0.937765D+01 -0.737254D+01 -0.153939D+01 -0.177120D-01
                26            27            28            29            30 
      1   0.975016D+01 -0.532260D+01 -0.288782D+01  0.697144D+01  0.107769D+02
      2  -0.109037D+02  0.112841D+02  0.486102D+01 -0.900108D+01 -0.166362D+02
      3   0.115355D+01 -0.596149D+01 -0.197320D+01  0.202964D+01  0.585930D+01
      4   0.482576D+01  0.676246D+00  0.217025D+01 -0.707333D+00 -0.218574D+01
      5   0.653716D+01 -0.907199D+01  0.655921D+01  0.280961D+01 -0.101537D+02
      6  -0.712310D+00  0.108772D+01 -0.523481D+01 -0.131765D+02  0.431105D+01
                31            32            33            34            35 
      1   0.686654D+01  0.514551D+01  0.585772D+01  0.113213D+02  0.480752D+01
      2  -0.829934D+01 -0.198670D+01 -0.445807D+00 -0.164514D+02 -0.390670D+00
      3   0.143279D+01 -0.315882D+01 -0.541192D+01  0.513007D+01 -0.441685D+01
      4  -0.561353D-01 -0.102463D+02 -0.111238D+02 -0.143780D+01 -0.121198D+02
      5   0.460593D+01 -0.665917D+01  0.852104D+00 -0.103786D+02  0.223136D+01
      6  -0.119966D+02  0.217169D+01 -0.856903D+01  0.509015D+01 -0.933480D+01
                36            37            38            39            40 
      1  -0.232597D+01  0.316082D+01  0.159962D+01 -0.987379D+01  0.181355D+01
      2  -0.264585D+01  0.375807D+01  0.138142D+02  0.251635D+01  0.134056D+02
      3   0.497181D+01 -0.691888D+01 -0.154139D+02  0.735744D+01 -0.152191D+02
      4   0.784321D+01 -0.152718D+01 -0.743801D+01 -0.428356D-01 -0.802555D+01
      5   0.328951D-01 -0.180034D+01 -0.272216D+01 -0.100453D+02 -0.379646D+01
      6   0.319821D+01  0.150950D+01 -0.366208D+01 -0.132863D+02 -0.416443D+01
                41            42            43            44            45 
      1  -0.330720D+01 -0.231734D+01 -0.107358D+02 -0.176006D+01  0.366535D-01
      2  -0.694995D+01  0.401293D+01  0.397070D+01  0.317764D+01  0.309560D+01
      3   0.102571D+02 -0.169560D+01  0.676509D+01 -0.141758D+01 -0.313225D+01
      4   0.931836D+01  0.281951D+01 -0.554251D+00  0.478055D+01 -0.787719D+01
      5  -0.585354D+01 -0.121415D+02 -0.869372D+01 -0.113298D+02  0.785207D+01
      6   0.319432D+01  0.104749D+01 -0.122867D+02  0.974428D+00 -0.490757D+01
                46            47            48            49            50 
      1  -0.136125D+01  0.325566D+01 -0.568757D+01  0.291447D+01 -0.576886D+01
      2  -0.509419D+00 -0.111292D+01 -0.164312D+01 -0.906628D+00  0.249509D+01
      3   0.187066D+01 -0.214275D+01  0.733069D+01 -0.200784D+01  0.327378D+01
      4  -0.843079D+00  0.220067D+01 -0.222438D+00  0.380752D+01  0.226084D+01
      5   0.305266D+01 -0.742591D+00  0.295266D+01 -0.181217D+01 -0.261473D+01
      6  -0.178575D+01  0.303480D+01 -0.387989D+01  0.149509D+00 -0.862977D+01
                51            52            53            54            55 
      1   0.939276D+01 -0.438337D+01  0.904777D+01 -0.196814D+02  0.128628D+02
      2   0.311366D+00  0.132669D+01 -0.554077D+00 -0.103125D+02 -0.728557D+01
      3  -0.970413D+01  0.305668D+01 -0.849369D+01  0.299939D+02 -0.557728D+01
      4  -0.275194D+01 -0.857031D+00 -0.353988D+01  0.356545D+01 -0.764494D+01
      5   0.366393D+01  0.588840D+01  0.300092D+01 -0.913396D+01 -0.948280D+01
      6   0.114306D+02 -0.121062D+01  0.117316D+02 -0.151423D+02  0.458284D+01
                56            57            58            59            60 
      1  -0.553380D+01 -0.280992D+01 -0.915310D+01  0.274992D+01  0.118277D+01
      2   0.437241D+01  0.396221D+01  0.601997D+01  0.104868D+01 -0.399561D+01
      3   0.116139D+01 -0.115229D+01  0.313312D+01 -0.379860D+01  0.281284D+01
      4   0.104846D+02  0.395707D+01  0.119359D+02 -0.152758D+02 -0.487496D+01
      5   0.649785D+01  0.718009D+01  0.100602D+02 -0.731490D+01 -0.886511D+01
      6  -0.531732D+01 -0.346175D+01 -0.616313D+01  0.117632D+02  0.743372D+01
                61            62            63            64            65 
      1  -0.212920D+01  0.177584D+01 -0.133142D+01  0.220275D+02  0.865223D+01
      2   0.365072D+01 -0.273235D+01 -0.370981D+01 -0.623391D+01  0.124297D+01
      3  -0.152153D+01  0.956510D+00  0.504123D+01 -0.157936D+02 -0.989520D+01
      4   0.355586D+01 -0.353225D+01 -0.330710D+01  0.145948D+02  0.135075D+02
      5   0.674982D+01 -0.521541D+01 -0.656916D+01 -0.202356D+01 -0.104209D+00
      6  -0.362718D+01  0.639622D+01  0.289157D+01 -0.159797D+01 -0.293311D+01
                66            67            68            69            70 
      1   0.384679D+01  0.108153D+02  0.465696D+01  0.306593D+01  0.803203D+01
      2   0.135057D-01  0.346633D+00  0.586365D+01  0.175488D+01 -0.209353D+01
      3  -0.386029D+01 -0.111620D+02 -0.105206D+02 -0.482082D+01 -0.593850D+01
      4   0.320051D+01  0.145586D+02  0.136336D+02  0.202944D+01  0.612437D+01
      5   0.494312D+01 -0.951981D+00 -0.106572D+01  0.385163D+01  0.335698D+01
      6   0.577868D+00 -0.257787D+01 -0.190019D+01  0.357124D+01  0.531493D+00
                71            72            73            74            75 
      1   0.306018D+01  0.112530D+01  0.732740D+01 -0.516122D+00  0.308355D+01
      2   0.230350D+01 -0.215609D+00 -0.786315D+01  0.162212D+01 -0.857007D+01
      3  -0.536368D+01 -0.909688D+00  0.535755D+00 -0.110599D+01  0.548653D+01
      4   0.540056D+01  0.339318D+01  0.150609D+01  0.307071D+01 -0.495250D+00
      5   0.247991D+01  0.450427D+01  0.954654D+01 -0.260397D+01  0.124833D+02
      6   0.221034D+01  0.122762D+01  0.339089D+00  0.421592D+00  0.220552D+01
                76            77            78            79            80 
      1  -0.262382D+01 -0.154589D+01 -0.259909D+00  0.420257D+01 -0.178537D+01
      2   0.338470D+01 -0.618031D+00  0.693235D+01 -0.998397D+01  0.574873D+01
      3  -0.760884D+00  0.216392D+01 -0.667244D+01  0.578140D+01 -0.396336D+01
      4   0.204735D+01 -0.361121D+01  0.261514D+01  0.478122D+00  0.397011D+01
      5  -0.566317D+01  0.293574D+01 -0.664955D+01  0.144728D+02 -0.300275D+01
      6   0.535114D+00 -0.255546D+01  0.331426D+01  0.222847D+01  0.519712D+01
                81            82            83            84            85 
      1  -0.332827D+01  0.254129D+02  0.539141D+01 -0.752911D+01  0.430915D+01
      2  -0.185084D+02 -0.794771D+01  0.167711D+01  0.540745D+00  0.149459D+01
      3   0.218366D+02 -0.174651D+02 -0.706852D+01  0.698837D+01 -0.580374D+01
      4   0.491713D-01  0.167739D+02  0.107631D+02 -0.558547D+01  0.899292D+01
      5   0.205054D+02 -0.374587D+01 -0.134600D+01  0.767504D+01 -0.108541D+01
      6   0.437842D+01 -0.371129D+01 -0.191436D+01  0.463839D+01 -0.231069D+01
                86            87            88            89            90 
      1   0.589058D+00 -0.184801D+01 -0.116287D+02 -0.184626D+01  0.458067D+01
      2   0.443502D+01 -0.141154D+00  0.265867D+01 -0.187075D+01 -0.311953D+01
      3  -0.502408D+01  0.198916D+01  0.897006D+01  0.371702D+01 -0.146115D+01
      4   0.629741D+01 -0.374597D+01 -0.909264D+01 -0.706506D+01  0.428012D+01
      5  -0.169349D+01  0.593583D+00  0.706283D+01  0.143445D+01 -0.673373D+01
      6  -0.229427D+00  0.318881D+01  0.415057D+01  0.306122D+01 -0.567020D+01
                91            92            93            94            95 
      1  -0.155988D+01  0.804915D+01  0.245066D+01  0.635278D+01 -0.215467D+02
      2   0.336070D+01 -0.102131D+02 -0.186452D+01 -0.571910D+01  0.317023D+02
      3  -0.180082D+01  0.216391D+01 -0.586138D+00 -0.633673D+00 -0.101555D+02
      4  -0.395636D+01  0.388859D+01  0.216135D+00  0.600427D+01  0.431871D+01
      5  -0.305052D+01  0.165108D+01  0.202776D+01  0.253186D+01 -0.265883D+00
      6   0.201268D+01 -0.609188D+01 -0.463711D+01 -0.294174D+01  0.171555D+02
                96            97            98            99           100 
      1  -0.789016D+01  0.116145D+01 -0.702911D+01 -0.464914D+01  0.460587D+01
      2   0.660226D+01 -0.169488D+01  0.608660D+01  0.169083D+01  0.139161D+00
      3   0.128790D+01  0.533422D+00  0.942505D+00  0.295831D+01 -0.474503D+01
      4   0.113882D+01  0.174166D+00  0.110802D+01  0.305688D+00 -0.851856D+01
      5   0.634262D+00  0.306579D+01 -0.190110D+00  0.152696D+01  0.326237D+01
      6   0.112178D+02 -0.169536D+01  0.982579D+01  0.652770D+01 -0.334419D+01
               101           102           103           104           105 
      1  -0.145549D+01  0.952413D+00 -0.129268D+01 -0.546689D+01  0.144688D+01
      2  -0.340140D+01  0.252055D+01 -0.325142D+01  0.133670D+02 -0.609628D+01
      3   0.485689D+01 -0.347296D+01  0.454410D+01 -0.790012D+01  0.464940D+01
      4   0.851843D+01 -0.508845D+01  0.791392D+01 -0.872272D+01  0.654523D+01
      5  -0.292671D+01  0.666126D+01 -0.252849D+01  0.395240D+01 -0.361514D+01
      6   0.447354D+01 -0.526882D+01  0.449791D+01 -0.738905D+01  0.967825D+01
               106           107           108           109           110 
      1   0.241547D+01  0.379610D+01 -0.258972D+01 -0.210649D+01 -0.859516D+01
      2   0.221602D+01 -0.103906D+02  0.256484D+01  0.370627D+01  0.130116D+02
      3  -0.463150D+01  0.659445D+01  0.248781D-01 -0.159978D+01 -0.441646D+01
      4  -0.868170D+01  0.997969D+01 -0.736783D+01  0.890809D+01  0.708885D+01
      5   0.715130D+01 -0.467814D+01  0.913026D+01  0.298662D+01  0.171615D+01
      6  -0.586642D+01  0.112106D+02 -0.152892D+02  0.492738D+01  0.824194D+01
               111           112           113           114           115 
      1  -0.538189D+01 -0.606296D+01 -0.154473D+02 -0.767014D+01 -0.453779D+01
      2   0.385354D+01  0.768231D+01  0.234435D+02  0.712596D+01  0.368676D+01
      3   0.152835D+01 -0.161935D+01 -0.799622D+01  0.544184D+00  0.851023D+00
      4   0.370116D+01  0.730065D+01  0.463269D+01  0.281746D+01  0.422367D+01
      5   0.358299D+01  0.131503D+01  0.142579D+01 -0.910185D-02  0.420885D+01
      6   0.675850D+01  0.531147D+01  0.123900D+02  0.108843D+02  0.339832D+01
               116           117           118           119           120 
      1  -0.852397D+01 -0.675945D+01  0.182539D+02  0.538462D+00 -0.684429D+01
      2   0.861932D+01  0.362396D+01 -0.130888D+02 -0.274539D+01  0.954768D+01
      3  -0.953475D-01  0.313550D+01 -0.516508D+01  0.220693D+01 -0.270340D+01
      4   0.262762D+01  0.133447D+01 -0.115554D+02  0.655782D+01  0.604580D+01
      5   0.396817D+00  0.112406D+01 -0.152793D+02  0.961203D+00  0.132606D+02
      6   0.115985D+02  0.957026D+01  0.640896D+01 -0.190804D+01 -0.682122D+01
               121           122           123           124           125 
      1   0.278219D+01  0.557729D+00 -0.119017D+01 -0.817313D+01 -0.177719D+01
      2  -0.302018D+01 -0.437513D+00  0.297030D+01  0.985237D+01  0.312271D+01
      3   0.237989D+00 -0.120216D+00 -0.178013D+01 -0.167924D+01 -0.134552D+01
      4   0.338222D+01  0.102931D+01 -0.116072D+01  0.716508D+01 -0.281918D+01
      5  -0.189557D+01 -0.174670D+01  0.162030D+01  0.133072D+02 -0.134295D+01
      6  -0.748097D+00 -0.155154D+00  0.282601D+01 -0.596001D+01  0.521423D+01
               126           127           128           129           130 
      1   0.164582D+01  0.496724D+01 -0.173457D+01 -0.359174D+00 -0.270361D+01
      2  -0.840881D+01  0.135412D+01 -0.734392D+01 -0.121457D+01 -0.669093D+01
      3   0.676299D+01 -0.632135D+01  0.907848D+01  0.157374D+01  0.939454D+01
      4  -0.573513D+01 -0.100272D+02  0.122863D+02 -0.469420D+00  0.131120D+02
      5  -0.126148D+02  0.464313D+01 -0.356899D+01  0.453461D+01 -0.481120D+01
      6   0.681290D+01 -0.386347D+01  0.621905D+01 -0.149134D+01  0.584152D+01
               131           132           133           134           135 
      1  -0.618212D+01  0.270526D+01 -0.113349D+01  0.357588D+00 -0.600914D+00
      2   0.227394D+02  0.135422D+01 -0.918262D+00  0.396693D+01  0.131318D+01
      3  -0.165573D+02 -0.405948D+01  0.205175D+01 -0.432452D+01 -0.712262D+00
      4  -0.173424D+02  0.622572D+00  0.227915D+01 -0.246911D+01 -0.152502D+01
      5   0.549090D+01 -0.237160D+01  0.248987D+01 -0.918992D+00 -0.122864D+01
      6  -0.129266D+02  0.650908D+01 -0.500632D+00  0.321002D+01  0.104577D+01
               136           137           138           139           140 
      1  -0.182357D+01 -0.358549D+01  0.904816D+01 -0.241013D+01 -0.346610D+01
      2  -0.408565D+01  0.672510D+00  0.550576D+01 -0.376599D+00  0.247504D+01
      3   0.590922D+01  0.291298D+01 -0.145539D+02  0.278673D+01  0.991061D+00
      4   0.625410D+01  0.438400D+01 -0.380102D+01  0.434432D+01  0.703665D+00
      5  -0.123927D+02 -0.272395D+01  0.107818D+02 -0.198956D+01 -0.181065D+01
      6  -0.478317D+01 -0.684691D+01  0.884875D+01 -0.344729D+01 -0.582831D+01
               141           142           143           144           145 
      1   0.468745D+01  0.673093D+01  0.503606D+01 -0.137045D+02  0.978027D+01
      2  -0.968159D+00  0.253789D+01 -0.791921D+00 -0.935267D+01 -0.117666D+02
      3  -0.371929D+01 -0.926882D+01 -0.424414D+01  0.230572D+02  0.198629D+01
      4  -0.213280D+01 -0.349671D+01 -0.185795D+01  0.370092D+01  0.192768D+01
      5   0.280442D+01  0.101184D+02  0.304339D+01 -0.819383D+01  0.157102D+02
      6   0.769357D+01  0.576201D+01  0.811762D+01 -0.108501D+02  0.291228D+01
               146           147           148           149           150 
      1   0.294174D+01  0.244111D+01  0.447736D+01  0.640973D+00 -0.150336D+01
      2  -0.574195D+01 -0.946537D+01 -0.692196D+01 -0.119890D+01 -0.652880D+01
      3   0.280021D+01  0.702426D+01  0.244461D+01  0.557928D+00  0.803215D+01
      4   0.529148D+01  0.636894D+00  0.463948D+01  0.412451D+01  0.207575D+01
      5   0.529258D+01  0.140216D+02  0.893365D+01  0.587455D+01  0.888238D+01
      6   0.580450D+01  0.306155D+01  0.502968D+01  0.763370D+01  0.543130D+01
               151           152           153 
      1   0.265894D+01  0.896847D-02 -0.288089D+01
      2  -0.805477D+01 -0.419449D+01 -0.106474D+02
      3   0.539583D+01  0.418552D+01  0.135283D+02
      4   0.232107D+00  0.138301D+01  0.182758D+01
      5   0.122245D+02  0.552139D+01  0.112943D+02
      6   0.332155D+01  0.541537D+01  0.305823D+01
 Leave Link  716 at Thu Jan 27 11:58:48 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.673033D+02 -0.523846D-03  0.271822D-03
      2  -0.523846D-03  0.673024D+02 -0.694870D-03
      3   0.271822D-03 -0.694870D-03  0.673028D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.672751D-03  0.199739D-02 -0.201299D-02
      2  -0.258692D-02  0.409257D-03  0.214206D-02
      3   0.125392D-02 -0.416834D-03 -0.106709D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.346302D+00  0.174531D-01  0.125769D+01
      2   0.159623D+01 -0.979590D+00 -0.459459D+00
      3  -0.124993D+01  0.962137D+00 -0.798230D+00
      4   0.164346D-01  0.159704D+01  0.169331D+01
      5   0.125948D+01  0.169331D+01 -0.124689D+01
      6   0.169355D+01 -0.456502D+00  0.959417D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.100267D+01  0.592868D-01  0.366136D+01  0.604922D-01  0.464012D+01
      2   0.592868D-01  0.463730D+01  0.493738D+01  0.464012D+01 -0.284198D+01
      3   0.366136D+01  0.493738D+01 -0.363165D+01  0.493671D+01 -0.134503D+01
                 6             7             8             9            10 
      1   0.493671D+01  0.366226D+01  0.493832D+01 -0.363522D+01 -0.101067D+01
      2  -0.134503D+01  0.493832D+01 -0.134637D+01  0.278669D+01 -0.131664D+00
      3   0.279229D+01 -0.363522D+01  0.278669D+01 -0.231430D+01 -0.243119D+01
                11            12            13            14            15 
      1  -0.131664D+00 -0.243119D+01  0.100567D+00 -0.449519D+01 -0.383225D+01
      2  -0.365578D+01 -0.383306D+01 -0.449519D+01  0.140076D+01  0.187600D+01
      3  -0.383306D+01  0.293766D+01 -0.383225D+01  0.187600D+01 -0.198787D+01
                16            17            18            19            20 
      1  -0.312684D+01 -0.383401D+01  0.210397D+01  0.243038D+01  0.406438D+00
      2  -0.383401D+01  0.118385D+01 -0.222248D+01  0.406438D+00 -0.363614D+01
      3   0.210397D+01 -0.222248D+01  0.336904D+01 -0.237723D+01 -0.398084D+01
                21            22            23            24            25 
      1  -0.237723D+01 -0.280670D+00 -0.292058D+01 -0.398059D+01 -0.287860D+01
      2  -0.398084D+01 -0.292058D+01  0.375986D+01  0.134790D+01 -0.398030D+01
      3   0.268572D+01 -0.398059D+01  0.134790D+01 -0.205630D+01  0.340127D+01
                26            27            28            29            30 
      1  -0.398030D+01  0.340127D+01  0.214125D+01 -0.958934D+00 -0.297509D+01
      2   0.842131D+00 -0.137035D+01 -0.958934D+00 -0.387310D+01 -0.383640D+01
      3  -0.137035D+01  0.307383D+01 -0.297509D+01 -0.383640D+01  0.281102D+01
                31            32            33            34            35 
      1  -0.197928D-01 -0.335153D+01 -0.383689D+01 -0.269489D+01 -0.383795D+01
      2  -0.335153D+01  0.362421D+00  0.952349D+00 -0.383795D+01  0.123627D+01
      3  -0.383689D+01  0.952349D+00 -0.228757D+01  0.333532D+01 -0.322844D+01
                36            37            38            39            40 
      1   0.333532D+01 -0.394784D+00  0.510727D+00 -0.373839D+01  0.217496D-01
      2  -0.322844D+01  0.510727D+00 -0.343267D+01 -0.389341D+01 -0.383535D+01
      3   0.882821D+00 -0.373839D+01 -0.389341D+01  0.300078D+01 -0.389602D+01
                41            42            43            44            45 
      1  -0.383535D+01 -0.389602D+01 -0.282255D+01 -0.389514D+01  0.260046D+01
      2   0.342761D+01  0.572948D-01 -0.389514D+01  0.972452D+00 -0.195856D+01
      3   0.572948D-01 -0.245335D+01  0.260046D+01 -0.195856D+01 -0.389946D-01
                46            47            48            49            50 
      1  -0.708179D+00  0.434927D+00 -0.626786D+00  0.759907D+00  0.280065D+00
      2   0.434927D+00 -0.545304D+00  0.981005D+00  0.280065D+00  0.185743D+01
      3  -0.626786D+00  0.981005D+00 -0.217475D+01  0.343053D+00 -0.202625D+01
                51            52            53            54            55 
      1   0.343053D+00 -0.116927D+01  0.387292D+00 -0.309780D+00  0.324943D+01
      2  -0.202625D+01  0.387292D+00 -0.213227D+01  0.245914D+01 -0.174012D+01
      3   0.276365D+01 -0.309780D+00  0.245914D+01 -0.702467D+01 -0.102542D+01
                56            57            58            59            60 
      1  -0.174012D+01 -0.102542D+01 -0.328191D+01  0.272644D+01  0.171309D+01
      2   0.214590D+01  0.100998D+01  0.272644D+01 -0.443124D+01 -0.166410D+01
      3   0.100998D+01  0.937837D+00  0.171309D+01 -0.166410D+01 -0.198341D+01
                61            62            63            64            65 
      1  -0.746524D+00  0.940992D+00  0.916187D+00  0.497058D+01  0.233411D+01
      2   0.940992D+00 -0.112858D+01 -0.867124D+00  0.233411D+01  0.247250D+01
      3   0.916187D+00 -0.867124D+00 -0.174997D+01  0.773049D+00  0.690892D+00
                66            67            68            69            70 
      1   0.773049D+00  0.308224D+01  0.275056D+01  0.626698D+00  0.243034D+01
      2   0.690892D+00  0.275056D+01  0.310984D+01  0.337872D+00  0.135657D+01
      3   0.917714D+00  0.626698D+00  0.337872D+00  0.128206D+01  0.756427D+00
                71            72            73            74            75 
      1   0.135657D+01  0.756427D+00 -0.234346D+01  0.269513D+00 -0.160176D+01
      2   0.130055D+01  0.941736D+00  0.269513D+00 -0.338928D+00  0.619895D+00
      3   0.941736D+00  0.906462D+00 -0.160176D+01  0.619895D+00 -0.224325D+01
                76            77            78            79            80 
      1   0.134239D+01 -0.326657D+00  0.131813D+01 -0.225646D+01  0.545673D+00
      2  -0.326657D+00  0.825380D+00 -0.114309D+01  0.545673D+00 -0.153849D+01
      3   0.131813D+01 -0.114309D+01  0.231777D+01 -0.284003D+01  0.820427D+00
                81            82            83            84            85 
      1  -0.284003D+01 -0.607562D+01 -0.187919D+01  0.182137D+01 -0.121818D+01
      2   0.820427D+00 -0.187919D+01 -0.147678D+01  0.812948D+00 -0.105068D+01
      3  -0.635272D+01  0.182137D+01  0.812948D+00 -0.198342D+01  0.754846D+00
                86            87            88            89            90 
      1  -0.105068D+01  0.754846D+00  0.349412D+01  0.148251D+01 -0.198686D+01
      2  -0.156958D+01  0.440570D+00  0.148251D+01  0.142261D+01 -0.598316D+00
      3   0.440570D+00 -0.351674D+00 -0.198686D+01 -0.598316D+00  0.190518D+01
                91            92            93            94            95 
      1   0.104905D+01 -0.117953D+01 -0.214647D+00 -0.153412D+01  0.108295D+01
      2  -0.117953D+01  0.295836D+01  0.115852D+01  0.108295D+01 -0.736783D+01
      3  -0.214647D+00  0.115852D+01  0.820809D+00  0.518637D+00 -0.210604D+01
                96            97            98            99           100 
      1   0.518637D+00 -0.224578D+00  0.563236D+00 -0.173485D-01 -0.206345D+01
      2  -0.210604D+01  0.563236D+00 -0.168168D+01 -0.132239D+01  0.139508D+01
      3  -0.168721D+01 -0.173485D-01 -0.132239D+01 -0.153586D+01 -0.934377D+00
               101           102           103           104           105 
      1   0.139508D+01 -0.934377D+00  0.116984D+01 -0.100507D+01  0.102825D+01
      2  -0.113245D+01  0.108848D+01 -0.100507D+01  0.305453D+01 -0.168321D+01
      3   0.108848D+01 -0.154492D+01  0.102825D+01 -0.168321D+01  0.183497D+01
               106           107           108           109           110 
      1  -0.193697D+01  0.175744D+01 -0.184899D+01  0.208468D+01  0.169482D+01
      2   0.175744D+01 -0.338083D+01  0.246468D+01  0.169482D+01  0.356618D+01
      3  -0.184899D+01  0.246468D+01 -0.407208D+01  0.122959D+01  0.158034D+01
               111           112           113           114           115 
      1   0.122959D+01  0.150722D+01  0.166866D+01  0.943037D+00  0.129889D+01
      2   0.158034D+01  0.166866D+01  0.483471D+01  0.174065D+01  0.983263D+00
      3   0.139631D+01  0.943037D+00  0.174065D+01  0.181436D+01  0.541330D+00
               116           117           118           119           120 
      1   0.983263D+00  0.541330D+00 -0.545723D+01  0.621476D+00  0.287123D+01
      2   0.223843D+01  0.202569D+01  0.621476D+00 -0.106221D+01  0.134999D-01
      3   0.202569D+01  0.204265D+01  0.287123D+01  0.134999D-01 -0.282208D+01
               121           122           123           124           125 
      1  -0.852870D+00 -0.342733D+00  0.711269D+00  0.324023D+01 -0.590500D-01
      2  -0.342733D+00 -0.290614D+00  0.419078D+00 -0.590500D-01  0.105479D+01
      3   0.711269D+00  0.419078D+00 -0.426603D+00 -0.271467D+01  0.622086D+00
               126           127           128           129           130 
      1  -0.271467D+01  0.244678D+01 -0.208707D+01  0.496016D+00 -0.244728D+01
      2   0.622086D+00 -0.208707D+01  0.287837D+01  0.135345D+00  0.291657D+01
      3   0.329138D+01  0.496016D+00  0.135345D+00  0.589244D+00  0.737253D-01
               131           132           133           134           135 
      1   0.291657D+01  0.737253D-01 -0.445942D+00  0.802068D+00  0.189958D+00
      2  -0.663201D+01  0.399159D+00  0.802068D+00 -0.123343D+01 -0.536009D+00
      3   0.399159D+00 -0.131349D+01  0.189958D+00 -0.536009D+00 -0.403857D+00
               136           137           138           139           140 
      1  -0.314912D+01 -0.920349D+00  0.252253D+01 -0.670036D+00 -0.407772D+00
      2  -0.920349D+00 -0.127467D+01  0.146216D+01 -0.407772D+00 -0.136092D+01
      3   0.252253D+01  0.146216D+01 -0.403015D+01  0.822732D+00  0.114232D+01
               141           142           143           144           145 
      1   0.822732D+00  0.214407D+01  0.863925D+00 -0.212257D+01  0.383305D+01
      2   0.114232D+01  0.863925D+00  0.118785D+01 -0.115145D+01  0.117047D+01
      3  -0.913351D+00 -0.212257D+01 -0.115145D+01  0.486308D+01  0.254974D+01
               146           147           148           149           150 
      1   0.117047D+01  0.254974D+01  0.226044D+01  0.167020D+01  0.175557D+01
      2   0.176943D+01  0.105326D+01  0.167020D+01  0.186164D+01  0.125453D+01
      3   0.105326D+01  0.233313D+01  0.175557D+01  0.125453D+01  0.265573D+01
               151           152           153 
      1   0.203272D+01  0.985170D+00  0.163054D+01
      2   0.985170D+00  0.100272D+01  0.113468D+01
      3   0.163054D+01  0.113468D+01  0.315802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368488D-02 -0.428526D-03  0.286682D-02  0.364899D-02 -0.756333D-02
      2   0.455613D-02  0.106902D-01  0.459552D+01  0.255507D-02 -0.217726D-02
      3  -0.130538D-01 -0.459934D+01 -0.503608D-02  0.459293D+01 -0.125985D-01
                 6             7             8             9            10 
      1  -0.459205D+01  0.142264D-01  0.458714D+01 -0.652334D-02  0.109500D+01
      2   0.402526D-02 -0.458737D+01 -0.636719D-02  0.572965D-02 -0.642513D+01
      3  -0.265572D-02  0.276496D-02  0.308645D-02 -0.777791D-02 -0.853702D+00
                11            12            13            14            15 
      1   0.643428D+01  0.350154D+01  0.777149D+01 -0.179418D+01 -0.402789D+01
      2  -0.577495D+01  0.308318D+01 -0.540367D+01 -0.254719D+01 -0.739183D+01
      3   0.404079D+01  0.467969D+01  0.935008D+01 -0.303147D+01 -0.522371D+01
                16            17            18            19            20 
      1   0.395752D+01  0.764377D+00  0.702100D+00 -0.303685D+01 -0.196188D+01
      2  -0.319743D+01 -0.784655D+01  0.897009D+01  0.601012D+01  0.572586D+01
      3   0.430547D+01 -0.388584D+01  0.388871D+01 -0.388500D+01 -0.678904D+01
                21            22            23            24            25 
      1   0.699210D+01 -0.279663D+01 -0.273111D+01 -0.511021D+01  0.812997D+01
      2  -0.354607D+01  0.492474D+01 -0.402121D+01 -0.151707D+01 -0.886625D+01
      3  -0.268970D+01 -0.963411D+00  0.937403D+01  0.681974D+01 -0.188463D+01
                26            27            28            29            30 
      1   0.117664D+00  0.575444D+01  0.417427D+01  0.434959D+01 -0.679353D+01
      2  -0.265510D+01 -0.199417D+01  0.109954D+01  0.427926D+01  0.524678D+00
      3   0.598494D+01 -0.547471D+01  0.411425D+01 -0.799842D+01 -0.845368D+01
                31            32            33            34            35 
      1   0.469256D+01 -0.217605D+01  0.322078D+01 -0.792839D+01  0.900272D+01
      2   0.367251D+01  0.733805D+00  0.440303D+01 -0.385277D+01  0.553873D+01
      3  -0.177254D+01 -0.650617D+01 -0.542654D+01 -0.784748D+01 -0.508531D+01
                36            37            38            39            40 
      1  -0.200171D+01 -0.224491D+01 -0.881103D+01 -0.372571D+01 -0.966097D+01
      2  -0.182614D+01 -0.673696D+00 -0.423192D+01  0.108555D+02 -0.319939D+01
      3   0.238871D+01  0.623336D+00 -0.175314D+00  0.647510D+01  0.431357D+01
                41            42            43            44            45 
      1   0.668956D+01 -0.500732D+01 -0.417757D+01  0.103857D+01 -0.446255D+01
      2   0.583206D+01  0.452508D+01  0.499121D+01  0.497660D+01 -0.516629D+01
      3   0.174095D+00  0.382802D+01  0.544663D+01  0.297991D+01 -0.797931D+00
                46            47            48            49            50 
      1  -0.292467D+00  0.983412D+00  0.149508D+00 -0.390314D+00 -0.217456D+01
      2  -0.275785D+01  0.161657D+01 -0.214530D+01  0.274438D+01 -0.224758D+01
      3  -0.139995D+01 -0.675386D-01 -0.132656D+01  0.148446D+01 -0.193129D+01
                51            52            53            54            55 
      1  -0.260562D+00 -0.408324D+00  0.421084D+01  0.751798D+00  0.238361D+01
      2   0.428127D+01 -0.518691D+01  0.404821D+01 -0.947474D+01  0.246755D+01
      3   0.261840D+01 -0.226285D+01  0.288595D+01 -0.364968D+01  0.254310D+01
                56            57            58            59            60 
      1  -0.370320D+01 -0.743443D+00 -0.330030D+01  0.666709D+01 -0.986439D-01
      2  -0.501344D+00  0.176009D+01 -0.210349D+01  0.882118D+00 -0.206928D+01
      3  -0.560330D+01 -0.186892D+01 -0.214249D+01  0.867940D+01  0.242113D+01
                61            62            63            64            65 
      1  -0.150806D+01  0.280994D+01  0.903053D+00 -0.303571D+01 -0.290086D+01
      2  -0.935108D+00  0.122301D+00 -0.157127D+01  0.596633D+01  0.389538D+01
      3  -0.139408D+01  0.262408D+01  0.140304D+01 -0.361949D+00 -0.478805D+01
                66            67            68            69            70 
      1  -0.245395D+01 -0.309406D+01 -0.297020D+01 -0.301053D+01 -0.153350D+01
      2   0.463179D+01  0.404999D+01  0.356996D+01  0.420196D+01  0.201794D+01
      3  -0.871138D+00 -0.600280D+00 -0.416402D+01 -0.458038D+00 -0.909810D-01
                71            72            73            74            75 
      1  -0.744337D+00 -0.222304D+01 -0.192449D+01  0.196629D+01 -0.321579D+01
      2   0.264115D+01  0.316671D+01 -0.829970D+00 -0.622757D+00  0.291706D+01
      3  -0.209233D+01 -0.111563D+01  0.233721D+01 -0.207135D+01  0.253082D+01
                76            77            78            79            80 
      1   0.128987D+01 -0.305643D+01  0.224871D+01 -0.346339D+01  0.545033D+01
      2   0.646694D+00  0.118753D+01 -0.207880D+01 -0.126491D+01 -0.851964D+00
      3  -0.382697D+00  0.199288D+01 -0.246897D+01  0.263225D+01 -0.385656D+01
                81            82            83            84            85 
      1  -0.712819D+01  0.372690D+01  0.120842D+01 -0.396845D+01  0.169128D+01
      2   0.592070D+01 -0.609052D+01 -0.237880D+01  0.687372D+01 -0.201221D+01
      3   0.432696D+01  0.503550D+01 -0.214031D+01 -0.133681D+01  0.153699D+01
                86            87            88            89            90 
      1   0.121340D+01 -0.177061D+01 -0.307173D+01  0.715326D-01  0.328207D+01
      2  -0.122641D+01  0.165384D+01  0.331840D+01  0.139813D+01 -0.538752D+01
      3  -0.107515D+01 -0.483096D+00 -0.263357D+01  0.144119D+01  0.168136D+01
                91            92            93            94            95 
      1   0.825527D+00 -0.143972D+01  0.108370D+01 -0.520379D+00  0.427821D+01
      2   0.164198D+01 -0.199161D+01  0.201621D+00 -0.293254D+01  0.351769D+01
      3  -0.390206D+01  0.318694D+01  0.117147D+01  0.657286D+01 -0.913020D+01
                96            97            98            99           100 
      1  -0.297314D+01 -0.550928D+00  0.125426D+01 -0.120506D+01  0.188209D+01
      2   0.178615D+01 -0.125666D+01  0.180048D+01  0.126534D+01  0.823176D+00
      3  -0.298831D+01  0.166859D+01 -0.279908D+01 -0.126880D+01 -0.226488D+01
               101           102           103           104           105 
      1  -0.174389D+01  0.386948D+01 -0.226766D+01  0.301882D+01 -0.553261D+01
      2  -0.151144D+01  0.312723D+01 -0.776682D+00  0.195262D+01 -0.287830D+01
      3  -0.311300D+00 -0.351767D+00  0.253544D+01  0.138028D+01  0.325980D+00
               106           107           108           109           110 
      1   0.329392D+01 -0.237637D+01  0.893206D+01 -0.123105D+01  0.627437D-01
      2   0.610357D-01 -0.249546D+01  0.543235D+01 -0.291013D+01 -0.185945D+01
      3  -0.265124D+01 -0.112694D+01 -0.800887D+00  0.617476D+01  0.331475D+01
               111           112           113           114           115 
      1  -0.261537D+01 -0.893625D+00  0.167744D+00 -0.412714D+01 -0.415727D+00
      2  -0.186087D+00 -0.254433D+01 -0.234721D+01 -0.135874D+01 -0.257185D+01
      3   0.308478D+01  0.630546D+01  0.576369D+01  0.323135D+01  0.420743D+01
               116           117           118           119           120 
      1  -0.433409D+00 -0.281748D+01 -0.426116D+01 -0.209973D+01  0.467052D+01
      2  -0.193615D+01 -0.117413D+01  0.116751D+01 -0.363971D+00  0.352028D+01
      3   0.300615D+01  0.237194D+01 -0.756718D+01 -0.291330D+01  0.461140D+01
               121           122           123           124           125 
      1  -0.916864D+00 -0.124990D+01 -0.102916D+00  0.402537D+01  0.184402D+01
      2   0.119741D+00 -0.240799D+00  0.376546D+00 -0.103976D+01 -0.409921D+00
      3  -0.353916D+00 -0.140507D+01  0.115552D+01  0.525661D+01  0.253399D+01
               126           127           128           129           130 
      1  -0.443561D+01 -0.256981D+01  0.478587D+01  0.204738D+01  0.449381D+01
      2  -0.270802D+01 -0.288466D+01  0.306363D+01  0.137945D+01  0.376057D+01
      3  -0.363273D+01 -0.156991D+01 -0.181642D+01 -0.512001D+00  0.273775D+01
               131           132           133           134           135 
      1  -0.935663D+01 -0.393420D+01  0.998332D+00 -0.103426D+01 -0.190484D+01
      2  -0.429367D+01 -0.246916D+01 -0.233840D+00 -0.122651D+01 -0.103196D+01
      3   0.302214D+01 -0.211445D+00  0.355376D+00  0.425174D+00  0.231061D+00
               136           137           138           139           140 
      1   0.703241D+00 -0.216554D+01 -0.152458D+01  0.234107D+00 -0.141058D+01
      2   0.814141D+01  0.191116D+01 -0.381762D+01  0.220537D+01  0.108276D+01
      3   0.383164D+01 -0.566885D+00 -0.261182D+01  0.178827D+01  0.604121D+00
               141           142           143           144           145 
      1  -0.356620D+00 -0.404573D+00  0.289784D+01  0.244117D+01  0.380949D+01
      2  -0.180387D+01 -0.727078D+01 -0.213182D+01  0.525834D+01 -0.474996D+01
      3  -0.129692D+01 -0.310062D+01 -0.536649D+00  0.254582D+01 -0.284182D+01
               146           147           148           149           150 
      1   0.503568D+01  0.272372D+01  0.366377D+01  0.489277D+01  0.178370D+01
      2  -0.126668D+01 -0.123783D+00 -0.315425D+01 -0.183228D+01  0.335130D+00
      3  -0.435371D+01 -0.252557D+01 -0.135096D+01 -0.373486D+01 -0.184012D+01
               151           152           153 
      1   0.304255D+01  0.419095D+01  0.341806D+01
      2  -0.377643D+01 -0.965547D+00  0.314632D+00
      3  -0.200968D+01 -0.250177D+01 -0.208946D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.445614D+01 -0.272216D+01  0.248162D+01 -0.272375D+01 -0.184458D+01
      2  -0.185277D+01  0.290623D+01 -0.116438D+01  0.290671D+01  0.192360D+01
      3  -0.260337D+01 -0.184068D+00 -0.131724D+01 -0.182962D+00 -0.790185D-01
      4  -0.273232D+01 -0.188495D+01 -0.773352D+00 -0.188433D+01  0.291151D+01
      5   0.247392D+01 -0.775838D+00 -0.264149D+01 -0.772340D+00 -0.117014D+01
      6  -0.773551D+00 -0.116416D+01 -0.195750D+00 -0.116609D+01 -0.343224D+01
                 6             7             8             9            10 
      1  -0.768786D+00  0.248851D+01 -0.761875D+00 -0.261524D+01 -0.518027D+01
      2  -0.342371D+01 -0.116149D+01 -0.342133D+01 -0.707063D-01 -0.389018D+01
      3   0.419249D+01 -0.132702D+01  0.418320D+01  0.268594D+01  0.907045D+01
      4  -0.116676D+01 -0.769602D+00 -0.116532D+01 -0.195241D+00 -0.144263D+01
      5  -0.190836D+00 -0.264434D+01 -0.188706D+00 -0.132167D+01 -0.564242D+01
      6  -0.104464D+00 -0.196666D+00 -0.104446D+00  0.418784D+01 -0.405589D+01
                11            12            13            14            15 
      1  -0.431181D+01 -0.186141D+01 -0.446887D+01 -0.819851D+01 -0.138786D+02
      2  -0.613196D+01  0.338158D+01 -0.500318D+01  0.516642D+01  0.147072D+01
      3   0.104438D+02 -0.152016D+01  0.947205D+01  0.303209D+01  0.124079D+02
      4  -0.122507D+02 -0.968285D+01 -0.133228D+02  0.252196D+01  0.172510D+01
      5  -0.837453D+01  0.589785D+01 -0.934663D+01  0.645747D+01  0.296859D+01
      6   0.417734D+01  0.859791D+01  0.477335D+01 -0.389039D+01 -0.671066D+01
                16            17            18            19            20 
      1  -0.238231D+01 -0.141559D+02  0.135325D+02 -0.819778D+01 -0.894581D+01
      2   0.274658D+01  0.222488D+01 -0.144981D+01  0.247551D+01  0.637283D+01
      3  -0.364275D+00  0.119310D+02 -0.120827D+02  0.572227D+01  0.257299D+01
      4  -0.109373D+02  0.493260D+00 -0.968527D+00 -0.388777D+01  0.154124D+01
      5   0.609653D+01  0.222099D+01 -0.110223D+01  0.518314D+01  0.695977D+01
      6   0.687826D+01 -0.670899D+01  0.787236D+01  0.645737D+01  0.106416D+02
                21            22            23            24            25 
      1   0.526631D+01 -0.889212D+01  0.135657D+02  0.898815D+01  0.609239D+01
      2   0.871615D+01  0.494817D+01 -0.137320D+02 -0.109364D+02  0.771170D+01
      3  -0.139825D+02  0.394395D+01  0.166256D+00  0.194825D+01 -0.138041D+02
      4   0.105886D+02  0.255291D+01  0.344528D+01  0.456819D+01  0.115945D+02
      5  -0.585937D+01  0.720628D+01  0.405809D+01  0.797166D+01 -0.717328D+01
      6   0.425964D-01  0.937765D+01 -0.737254D+01 -0.153939D+01 -0.177120D-01
                26            27            28            29            30 
      1   0.975016D+01 -0.532260D+01 -0.288782D+01  0.697144D+01  0.107769D+02
      2  -0.109037D+02  0.112841D+02  0.486102D+01 -0.900108D+01 -0.166362D+02
      3   0.115355D+01 -0.596149D+01 -0.197320D+01  0.202964D+01  0.585930D+01
      4   0.482576D+01  0.676246D+00  0.217025D+01 -0.707333D+00 -0.218574D+01
      5   0.653716D+01 -0.907199D+01  0.655921D+01  0.280961D+01 -0.101537D+02
      6  -0.712310D+00  0.108772D+01 -0.523481D+01 -0.131765D+02  0.431105D+01
                31            32            33            34            35 
      1   0.686654D+01  0.514551D+01  0.585772D+01  0.113213D+02  0.480752D+01
      2  -0.829934D+01 -0.198670D+01 -0.445807D+00 -0.164514D+02 -0.390670D+00
      3   0.143279D+01 -0.315882D+01 -0.541192D+01  0.513007D+01 -0.441685D+01
      4  -0.561353D-01 -0.102463D+02 -0.111238D+02 -0.143780D+01 -0.121198D+02
      5   0.460593D+01 -0.665917D+01  0.852104D+00 -0.103786D+02  0.223136D+01
      6  -0.119966D+02  0.217169D+01 -0.856903D+01  0.509015D+01 -0.933480D+01
                36            37            38            39            40 
      1  -0.232597D+01  0.316082D+01  0.159962D+01 -0.987379D+01  0.181355D+01
      2  -0.264585D+01  0.375807D+01  0.138142D+02  0.251635D+01  0.134056D+02
      3   0.497181D+01 -0.691888D+01 -0.154139D+02  0.735744D+01 -0.152191D+02
      4   0.784321D+01 -0.152718D+01 -0.743801D+01 -0.428356D-01 -0.802555D+01
      5   0.328951D-01 -0.180034D+01 -0.272216D+01 -0.100453D+02 -0.379646D+01
      6   0.319821D+01  0.150950D+01 -0.366208D+01 -0.132863D+02 -0.416443D+01
                41            42            43            44            45 
      1  -0.330720D+01 -0.231734D+01 -0.107358D+02 -0.176006D+01  0.366535D-01
      2  -0.694995D+01  0.401293D+01  0.397070D+01  0.317764D+01  0.309560D+01
      3   0.102571D+02 -0.169560D+01  0.676509D+01 -0.141758D+01 -0.313225D+01
      4   0.931836D+01  0.281951D+01 -0.554251D+00  0.478055D+01 -0.787719D+01
      5  -0.585354D+01 -0.121415D+02 -0.869372D+01 -0.113298D+02  0.785207D+01
      6   0.319432D+01  0.104749D+01 -0.122867D+02  0.974428D+00 -0.490757D+01
                46            47            48            49            50 
      1  -0.136125D+01  0.325566D+01 -0.568757D+01  0.291447D+01 -0.576886D+01
      2  -0.509419D+00 -0.111292D+01 -0.164312D+01 -0.906628D+00  0.249509D+01
      3   0.187066D+01 -0.214275D+01  0.733069D+01 -0.200784D+01  0.327378D+01
      4  -0.843079D+00  0.220067D+01 -0.222438D+00  0.380752D+01  0.226084D+01
      5   0.305266D+01 -0.742591D+00  0.295266D+01 -0.181217D+01 -0.261473D+01
      6  -0.178575D+01  0.303480D+01 -0.387989D+01  0.149509D+00 -0.862977D+01
                51            52            53            54            55 
      1   0.939276D+01 -0.438337D+01  0.904777D+01 -0.196814D+02  0.128628D+02
      2   0.311366D+00  0.132669D+01 -0.554077D+00 -0.103125D+02 -0.728557D+01
      3  -0.970413D+01  0.305668D+01 -0.849369D+01  0.299939D+02 -0.557728D+01
      4  -0.275194D+01 -0.857031D+00 -0.353988D+01  0.356545D+01 -0.764494D+01
      5   0.366393D+01  0.588840D+01  0.300092D+01 -0.913396D+01 -0.948280D+01
      6   0.114306D+02 -0.121062D+01  0.117316D+02 -0.151423D+02  0.458284D+01
                56            57            58            59            60 
      1  -0.553380D+01 -0.280992D+01 -0.915310D+01  0.274992D+01  0.118277D+01
      2   0.437241D+01  0.396221D+01  0.601997D+01  0.104868D+01 -0.399561D+01
      3   0.116139D+01 -0.115229D+01  0.313312D+01 -0.379860D+01  0.281284D+01
      4   0.104846D+02  0.395707D+01  0.119359D+02 -0.152758D+02 -0.487496D+01
      5   0.649785D+01  0.718009D+01  0.100602D+02 -0.731490D+01 -0.886511D+01
      6  -0.531732D+01 -0.346175D+01 -0.616313D+01  0.117632D+02  0.743372D+01
                61            62            63            64            65 
      1  -0.212920D+01  0.177584D+01 -0.133142D+01  0.220275D+02  0.865223D+01
      2   0.365072D+01 -0.273235D+01 -0.370981D+01 -0.623391D+01  0.124297D+01
      3  -0.152153D+01  0.956510D+00  0.504123D+01 -0.157936D+02 -0.989520D+01
      4   0.355586D+01 -0.353225D+01 -0.330710D+01  0.145948D+02  0.135075D+02
      5   0.674982D+01 -0.521541D+01 -0.656916D+01 -0.202356D+01 -0.104209D+00
      6  -0.362718D+01  0.639622D+01  0.289157D+01 -0.159797D+01 -0.293311D+01
                66            67            68            69            70 
      1   0.384679D+01  0.108153D+02  0.465696D+01  0.306593D+01  0.803203D+01
      2   0.135057D-01  0.346633D+00  0.586365D+01  0.175488D+01 -0.209353D+01
      3  -0.386029D+01 -0.111620D+02 -0.105206D+02 -0.482082D+01 -0.593850D+01
      4   0.320051D+01  0.145586D+02  0.136336D+02  0.202944D+01  0.612437D+01
      5   0.494312D+01 -0.951981D+00 -0.106572D+01  0.385163D+01  0.335698D+01
      6   0.577868D+00 -0.257787D+01 -0.190019D+01  0.357124D+01  0.531493D+00
                71            72            73            74            75 
      1   0.306018D+01  0.112530D+01  0.732740D+01 -0.516122D+00  0.308355D+01
      2   0.230350D+01 -0.215609D+00 -0.786315D+01  0.162212D+01 -0.857007D+01
      3  -0.536368D+01 -0.909688D+00  0.535755D+00 -0.110599D+01  0.548653D+01
      4   0.540056D+01  0.339318D+01  0.150609D+01  0.307071D+01 -0.495250D+00
      5   0.247991D+01  0.450427D+01  0.954654D+01 -0.260397D+01  0.124833D+02
      6   0.221034D+01  0.122762D+01  0.339089D+00  0.421592D+00  0.220552D+01
                76            77            78            79            80 
      1  -0.262382D+01 -0.154589D+01 -0.259909D+00  0.420257D+01 -0.178537D+01
      2   0.338470D+01 -0.618031D+00  0.693235D+01 -0.998397D+01  0.574873D+01
      3  -0.760884D+00  0.216392D+01 -0.667244D+01  0.578140D+01 -0.396336D+01
      4   0.204735D+01 -0.361121D+01  0.261514D+01  0.478122D+00  0.397011D+01
      5  -0.566317D+01  0.293574D+01 -0.664955D+01  0.144728D+02 -0.300275D+01
      6   0.535114D+00 -0.255546D+01  0.331426D+01  0.222847D+01  0.519712D+01
                81            82            83            84            85 
      1  -0.332827D+01  0.254129D+02  0.539141D+01 -0.752911D+01  0.430915D+01
      2  -0.185084D+02 -0.794771D+01  0.167711D+01  0.540745D+00  0.149459D+01
      3   0.218366D+02 -0.174651D+02 -0.706852D+01  0.698837D+01 -0.580374D+01
      4   0.491713D-01  0.167739D+02  0.107631D+02 -0.558547D+01  0.899292D+01
      5   0.205054D+02 -0.374587D+01 -0.134600D+01  0.767504D+01 -0.108541D+01
      6   0.437842D+01 -0.371129D+01 -0.191436D+01  0.463839D+01 -0.231069D+01
                86            87            88            89            90 
      1   0.589058D+00 -0.184801D+01 -0.116287D+02 -0.184626D+01  0.458067D+01
      2   0.443502D+01 -0.141154D+00  0.265867D+01 -0.187075D+01 -0.311953D+01
      3  -0.502408D+01  0.198916D+01  0.897006D+01  0.371702D+01 -0.146115D+01
      4   0.629741D+01 -0.374597D+01 -0.909264D+01 -0.706506D+01  0.428012D+01
      5  -0.169349D+01  0.593583D+00  0.706283D+01  0.143445D+01 -0.673373D+01
      6  -0.229427D+00  0.318881D+01  0.415057D+01  0.306122D+01 -0.567020D+01
                91            92            93            94            95 
      1  -0.155988D+01  0.804915D+01  0.245066D+01  0.635278D+01 -0.215467D+02
      2   0.336070D+01 -0.102131D+02 -0.186452D+01 -0.571910D+01  0.317023D+02
      3  -0.180082D+01  0.216391D+01 -0.586138D+00 -0.633673D+00 -0.101555D+02
      4  -0.395636D+01  0.388859D+01  0.216135D+00  0.600427D+01  0.431871D+01
      5  -0.305052D+01  0.165108D+01  0.202776D+01  0.253186D+01 -0.265883D+00
      6   0.201268D+01 -0.609188D+01 -0.463711D+01 -0.294174D+01  0.171555D+02
                96            97            98            99           100 
      1  -0.789016D+01  0.116145D+01 -0.702911D+01 -0.464914D+01  0.460587D+01
      2   0.660226D+01 -0.169488D+01  0.608660D+01  0.169083D+01  0.139161D+00
      3   0.128790D+01  0.533422D+00  0.942505D+00  0.295831D+01 -0.474503D+01
      4   0.113882D+01  0.174166D+00  0.110802D+01  0.305688D+00 -0.851856D+01
      5   0.634262D+00  0.306579D+01 -0.190110D+00  0.152696D+01  0.326237D+01
      6   0.112178D+02 -0.169536D+01  0.982579D+01  0.652770D+01 -0.334419D+01
               101           102           103           104           105 
      1  -0.145549D+01  0.952413D+00 -0.129268D+01 -0.546689D+01  0.144688D+01
      2  -0.340140D+01  0.252055D+01 -0.325142D+01  0.133670D+02 -0.609628D+01
      3   0.485689D+01 -0.347296D+01  0.454410D+01 -0.790012D+01  0.464940D+01
      4   0.851843D+01 -0.508845D+01  0.791392D+01 -0.872272D+01  0.654523D+01
      5  -0.292671D+01  0.666126D+01 -0.252849D+01  0.395240D+01 -0.361514D+01
      6   0.447354D+01 -0.526882D+01  0.449791D+01 -0.738905D+01  0.967825D+01
               106           107           108           109           110 
      1   0.241547D+01  0.379610D+01 -0.258972D+01 -0.210649D+01 -0.859516D+01
      2   0.221602D+01 -0.103906D+02  0.256484D+01  0.370627D+01  0.130116D+02
      3  -0.463150D+01  0.659445D+01  0.248781D-01 -0.159978D+01 -0.441646D+01
      4  -0.868170D+01  0.997969D+01 -0.736783D+01  0.890809D+01  0.708885D+01
      5   0.715130D+01 -0.467814D+01  0.913026D+01  0.298662D+01  0.171615D+01
      6  -0.586642D+01  0.112106D+02 -0.152892D+02  0.492738D+01  0.824194D+01
               111           112           113           114           115 
      1  -0.538189D+01 -0.606296D+01 -0.154473D+02 -0.767014D+01 -0.453779D+01
      2   0.385354D+01  0.768231D+01  0.234435D+02  0.712596D+01  0.368676D+01
      3   0.152835D+01 -0.161935D+01 -0.799622D+01  0.544184D+00  0.851023D+00
      4   0.370116D+01  0.730065D+01  0.463269D+01  0.281746D+01  0.422367D+01
      5   0.358299D+01  0.131503D+01  0.142579D+01 -0.910185D-02  0.420885D+01
      6   0.675850D+01  0.531147D+01  0.123900D+02  0.108843D+02  0.339832D+01
               116           117           118           119           120 
      1  -0.852397D+01 -0.675945D+01  0.182539D+02  0.538462D+00 -0.684429D+01
      2   0.861932D+01  0.362396D+01 -0.130888D+02 -0.274539D+01  0.954768D+01
      3  -0.953475D-01  0.313550D+01 -0.516508D+01  0.220693D+01 -0.270340D+01
      4   0.262762D+01  0.133447D+01 -0.115554D+02  0.655782D+01  0.604580D+01
      5   0.396817D+00  0.112406D+01 -0.152793D+02  0.961203D+00  0.132606D+02
      6   0.115985D+02  0.957026D+01  0.640896D+01 -0.190804D+01 -0.682122D+01
               121           122           123           124           125 
      1   0.278219D+01  0.557729D+00 -0.119017D+01 -0.817313D+01 -0.177719D+01
      2  -0.302018D+01 -0.437513D+00  0.297030D+01  0.985237D+01  0.312271D+01
      3   0.237989D+00 -0.120216D+00 -0.178013D+01 -0.167924D+01 -0.134552D+01
      4   0.338222D+01  0.102931D+01 -0.116072D+01  0.716508D+01 -0.281918D+01
      5  -0.189557D+01 -0.174670D+01  0.162030D+01  0.133072D+02 -0.134295D+01
      6  -0.748097D+00 -0.155154D+00  0.282601D+01 -0.596001D+01  0.521423D+01
               126           127           128           129           130 
      1   0.164582D+01  0.496724D+01 -0.173457D+01 -0.359174D+00 -0.270361D+01
      2  -0.840881D+01  0.135412D+01 -0.734392D+01 -0.121457D+01 -0.669093D+01
      3   0.676299D+01 -0.632135D+01  0.907848D+01  0.157374D+01  0.939454D+01
      4  -0.573513D+01 -0.100272D+02  0.122863D+02 -0.469420D+00  0.131120D+02
      5  -0.126148D+02  0.464313D+01 -0.356899D+01  0.453461D+01 -0.481120D+01
      6   0.681290D+01 -0.386347D+01  0.621905D+01 -0.149134D+01  0.584152D+01
               131           132           133           134           135 
      1  -0.618212D+01  0.270526D+01 -0.113349D+01  0.357588D+00 -0.600914D+00
      2   0.227394D+02  0.135422D+01 -0.918262D+00  0.396693D+01  0.131318D+01
      3  -0.165573D+02 -0.405948D+01  0.205175D+01 -0.432452D+01 -0.712262D+00
      4  -0.173424D+02  0.622572D+00  0.227915D+01 -0.246911D+01 -0.152502D+01
      5   0.549090D+01 -0.237160D+01  0.248987D+01 -0.918992D+00 -0.122864D+01
      6  -0.129266D+02  0.650908D+01 -0.500632D+00  0.321002D+01  0.104577D+01
               136           137           138           139           140 
      1  -0.182357D+01 -0.358549D+01  0.904816D+01 -0.241013D+01 -0.346610D+01
      2  -0.408565D+01  0.672510D+00  0.550576D+01 -0.376599D+00  0.247504D+01
      3   0.590922D+01  0.291298D+01 -0.145539D+02  0.278673D+01  0.991061D+00
      4   0.625410D+01  0.438400D+01 -0.380102D+01  0.434432D+01  0.703665D+00
      5  -0.123927D+02 -0.272395D+01  0.107818D+02 -0.198956D+01 -0.181065D+01
      6  -0.478317D+01 -0.684691D+01  0.884875D+01 -0.344729D+01 -0.582831D+01
               141           142           143           144           145 
      1   0.468745D+01  0.673093D+01  0.503606D+01 -0.137045D+02  0.978027D+01
      2  -0.968159D+00  0.253789D+01 -0.791921D+00 -0.935267D+01 -0.117666D+02
      3  -0.371929D+01 -0.926882D+01 -0.424414D+01  0.230572D+02  0.198629D+01
      4  -0.213280D+01 -0.349671D+01 -0.185795D+01  0.370092D+01  0.192768D+01
      5   0.280442D+01  0.101184D+02  0.304339D+01 -0.819383D+01  0.157102D+02
      6   0.769357D+01  0.576201D+01  0.811762D+01 -0.108501D+02  0.291228D+01
               146           147           148           149           150 
      1   0.294174D+01  0.244111D+01  0.447736D+01  0.640973D+00 -0.150336D+01
      2  -0.574195D+01 -0.946537D+01 -0.692196D+01 -0.119890D+01 -0.652880D+01
      3   0.280021D+01  0.702426D+01  0.244461D+01  0.557928D+00  0.803215D+01
      4   0.529148D+01  0.636894D+00  0.463948D+01  0.412451D+01  0.207575D+01
      5   0.529258D+01  0.140216D+02  0.893365D+01  0.587455D+01  0.888238D+01
      6   0.580450D+01  0.306155D+01  0.502968D+01  0.763370D+01  0.543130D+01
               151           152           153 
      1   0.265894D+01  0.896847D-02 -0.288089D+01
      2  -0.805477D+01 -0.419449D+01 -0.106474D+02
      3   0.539583D+01  0.418552D+01  0.135283D+02
      4   0.232107D+00  0.138301D+01  0.182758D+01
      5   0.122245D+02  0.552139D+01  0.112943D+02
      6   0.332155D+01  0.541537D+01  0.305823D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.673029D+02      0.997326D+01      0.110967D+02
   aniso      0.174310D-02      0.258301D-03      0.287399D-03
   xx         0.673033D+02      0.997332D+01      0.110968D+02
   yx        -0.523846D-03     -0.776259D-04     -0.863705D-04
   yy         0.673024D+02      0.997319D+01      0.110967D+02
   zx         0.271822D-03      0.402799D-04      0.448174D-04
   zy        -0.694870D-03     -0.102969D-03     -0.114569D-03
   zz         0.673028D+02      0.997325D+01      0.110967D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199257         -1.77261301          2.27711133
     6         -2.54545341          1.37771088          0.13617656
     6          0.13192764         -1.54554824         -2.44740813
     6          2.15152906          1.94045126          0.03412950
     1         -1.25041337         -3.17768896          2.29985290
     1          0.17452134         -0.71848892          4.05005431
     1          2.06294509         -2.78069271          2.22733031
     1         -4.11526103          0.03703416          0.11598667
     1         -2.78261754          2.65548458         -1.46793637
     1         -2.69011409          2.49703054          1.86485562
     1         -1.38323258         -2.94587515         -2.52154316
     1          1.93017178         -2.54907314         -2.59353789
     1         -0.04999618         -0.32654109         -4.10361463
     1          2.10266958          3.07012065          1.76144194
     1          2.01060414          3.23088337         -1.57120859
     1          3.99110568          1.00827614         -0.06164619

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.673029D+02      0.997326D+01      0.110967D+02
   aniso      0.174310D-02      0.258301D-03      0.287399D-03
   xx         0.673029D+02      0.997327D+01      0.110968D+02
   yx         0.750504D-03      0.111213D-03      0.123741D-03
   yy         0.673029D+02      0.997325D+01      0.110967D+02
   zx         0.666847D-03      0.988165D-04      0.109948D-03
   zy        -0.130188D-04     -0.192918D-05     -0.214651D-05
   zz         0.673028D+02      0.997325D+01      0.110967D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-V09-32\Freq\RLC-PBEPBE\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P
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 545492\Quadrupole=-0.0000654,0.0000364,0.000029,0.0000017,0.0000088,-0
 .0000159\PG=C01 [X(C5H12)]\NImag=0\\0.48647198,-0.00016835,0.48644060,
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 KNOWLEDGE IS CHIMERA - FOR BEYOND IT LIES OTHER KNOWLEDGE,
 AND THE INCOMPLETENESS OF WHAT IS KNOWN RENDERS THE KNOWING FALSE.
     -- THE THOMAS COVENANT CHRONICLES
 Job cpu time:       0 days  1 hours  8 minutes 52.4 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 38.0 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:58:48 2022.
